N-(ALPHA-(NITROETHYL)BENZYL) ETHYLENEDIAMINE

Mainterm	N-(ALPHA-(NITROETHYL)BENZYL) ETHYLENEDIAMINE
CAS Reg.No.(or other ID)	14762-38-0
Regnum	176.180 176.300

From www.fda.gov

2D Structure
CID	85767
IUPAC Name	N'-(2-nitro-1-phenylpropyl)ethane-1,2-diamine
InChI	InChI=1S/C11H17N3O2/c1-9(14(15)16)11(13-8-7-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8,12H2,1H3
InChI Key	KHUHJMXIOOBDQH-UHFFFAOYSA-N
Canonical SMILES	CC(C(C1=CC=CC=C1)NCCN)[N+](=O)[O-]
Molecular Formula	C11H17N3O2
Wikipedia	N-(alpha-(nitroethyl)benzyl) ethylenediamine

From Pubchem

Property Name	Property Value
Molecular Weight	223.276
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Complexity	212.0
CACTVS Substructure Key Fingerprint	A A A D c e B z M 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 w A A A A A A A A A A A B A A A A H A A U A A A A D C j B G A Q y A I L Q Q A C B A i B C A w C C A A A g A A A o i I A I B I g I Y C K A k R G U I A h g k A C I i A c Q g I A 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 = =
Topological Polar Surface Area	83.9
Monoisotopic Mass	223.132
Exact Mass	223.132
XLogP3	None
XLogP3-AA	0.6
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	16
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Organopnictogen compounds Organic oxoazanium compounds C-nitro compounds Aralkylamines Monoalkylamines Hydrocarbon derivatives Dialkylamines Organic oxides Organic zwitterions Propargyl-type 1,3-dipolar organic compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Aralkylamine - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Amine - Primary amine - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

General Information