HYDRAZINE
General Information
| Mainterm | HYDRAZINE |
| Doc Type | NUL |
| CAS Reg.No.(or other ID) | 302-01-2 |
| Regnum |
173.310 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 9321 |
| IUPAC Name | hydrazine |
| InChI | InChI=1S/H4N2/c1-2/h1-2H2 |
| InChI Key | OAKJQQAXSVQMHS-UHFFFAOYSA-N |
| Canonical SMILES | NN |
| Molecular Formula | N2H4 |
| Wikipedia | hydrazine |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 32.046 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 0.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y A D A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A Y A A A A A A A A A A A A A A A C A A A A A A A A A A A A A A A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 52.0 |
| Monoisotopic Mass | 32.037 |
| Exact Mass | 32.037 |
| XLogP3 | None |
| XLogP3-AA | -1.5 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
Food Additives Biosynthesis/Degradation
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9553 |
| Human Intestinal Absorption | HIA+ | 0.9781 |
| Caco-2 Permeability | Caco2+ | 0.5436 |
| P-glycoprotein Substrate | Non-substrate | 0.8696 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9824 |
| Non-inhibitor | 0.9937 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9167 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.4539 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.9180 |
| CYP450 2D6 Substrate | Non-substrate | 0.8575 |
| CYP450 3A4 Substrate | Non-substrate | 0.8323 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8065 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.7727 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9349 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9109 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.6150 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8832 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9465 |
| Non-inhibitor | 0.9728 | |
| AMES Toxicity | AMES toxic | 0.9108 |
| Carcinogens | Carcinogens | 0.8629 |
| Fish Toxicity | High FHMT | 0.6254 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.8024 |
| Honey Bee Toxicity | High HBT | 0.5571 |
| Biodegradation | Not ready biodegradable | 0.7807 |
| Acute Oral Toxicity | II | 0.7627 |
| Carcinogenicity (Three-class) | Non-required | 0.5908 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | 0.8626 | LogS |
| Caco-2 Permeability | 1.0511 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.7367 | LD50, mol/kg |
| Fish Toxicity | 1.6585 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -1.0084 | pIGC50, ug/L |
From admetSAR
Toxicity Profile
| Route of Exposure | Oral ; inhalation ; dermal |
|---|---|
| Mechanism of Toxicity | At least two mechanisms of action have been observed. One involves the direct binding of those hydrazines with a free amino group (hydrazine and 1,1-dimethylhydrazine) to key cellular molecules. Hydrazine reacts with alpha-keto acids such as vitamin B6 to form hydrazoines compounds. By binding to keto acids and forming hydrazones, hydrazine inhibits oxygen consumption with mitochondrial substrates in vitro. A second mechanism involves the generation of reactive species such as free radical intermediates or methyldiazonium ions as a result of metabolism. |
| Metabolism | Hydrazines are likely to be more rapidly absorbed into the blood after ingestion or exposure to the skin than after inhalation. Once in the blood, they are probably carried to all the tissues of the body. Soon after exposure, the levels of hydrazines in the tissues fall since they are metabolised in several products such as acetyl-, diacetylhydrazine, pyruvate hydrazone, urea, and acyclic compound (1,4,5,6-tetrahydro-6-oxo-3-pyridazine carboxylic acid). However, these metabolites interacts with some important proteins and might be harmful to the body. Some studies showed that metabolites and unchanged hydrazine leave the body within one day. Small amounts can also be found in the expired air. |
| Toxicity Values | LD50: 60 mg/kg (Oral, Rat) LD50: 91 mg/kg (Dermal, Rabbit) LC50: 570 ppm over 4 hours (Inhalation, Rat) |
| Lethal Dose | |
| Carcinogenicity (IARC Classification) | 2B, possibly carcinogenic to humans. |
| Minimum Risk Level | Intermediate Inhalation: 0.004 ppm |
| Health Effects | Breathing hydrazines for short periods may cause coughing and irritation of the throat and lungs, convulsions, tremors, or seizures. Breathing hydrazines for long periods may cause liver and kidney damage, as well as serious effects on reproductive organs. Eating or drinking small amounts of hydrazines may cause nausea, vomiting, uncontrolled shaking, inflammation of the nerves, drowsiness, or coma. (L154) |
| Treatment | Induced emesis, gastric lavage, use of saline cathartics, or activated charcoal are commonly used to decrease the gastrointestinal absorption of hydrazines. In general, these treatments are most effective when used within a few hours after oral exposure. Following dermal or ocular exposures to hydrazines, all contaminated clothing should be removed, and contacted skin should be washed immediately with soap and water. Eyes that have come in contact with hydrazines should be flushed with copious amounts of water. Contact lenses should be removed prior to flushing with water. |
| Reference |
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From T3DB
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Homogeneous non-metal compounds |
| Class | Homogeneous other non-metal compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous other non-metal compounds |
| Alternative Parents |
|
| Molecular Framework | Not available |
| Substituents | Homogeneous other non metal - Hydrazine derivative |
| Description | This compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'. |
From ClassyFire