AMMONIUM CARBONATE

General Information

Mainterm	AMMONIUM CARBONATE
Doc Type	ASP
CAS Reg.No.(or other ID)	8000-73-5
Regnum	73.85 163.110 163.111 163.112 184.1137

From www.fda.gov

Computed Descriptors

2D Structure
CID	24660
IUPAC Name	diazanium;hydrogen carbonate;carbamate
InChI	InChI=1S/CH3NO2.CH2O3.2H3N/c22-1(3)4;;/h2H2,(H,3,4);(H2,2,3,4);21H3
InChI Key	YNSUIDWLZCFLML-UHFFFAOYSA-N
Canonical SMILES	C(=O)(N)[O-].C(=O)(O)[O-].[NH4+].[NH4+]
Molecular Formula	C2H11N3O5

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	157.126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Complexity	52.3
CACTVS Substructure Key Fingerprint	A A A D c c B D O 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 B g A Q C A A A A A A A A A A A C A B A A g A I A A A A G A A A A A A A A A A A A A A A A A E 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	129.0
Monoisotopic Mass	157.07
Exact Mass	157.07
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	10
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	4

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Organic carbonic acids
Intermediate Tree Nodes	Not available
Direct Parent	Organic carbonic acids
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonate salts Carbamic acids Carbonyl compounds Organic salts Organonitrogen compounds
Molecular Framework	Not available
Substituents	Carbonate salt - Carbonic acid - Carbamic acid derivative - Carbamic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.

From ClassyFire