PDB Chemical Component XAP

Ideal Model

Chemical Description

Name 3-AMINOOXY-1-AMINOPROPANE
Formula C3 H10 N2 O
Formal charge 0
Molecular weight 90.124 g/mol
Component type NON-POLYMER

Chemical features

Atom count 16
Chiral atom count 0
Bond count 15
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 3-(aminooxy)propan-1-amine
Systematic name (OpenEye OEToolkits) O-(3-aminopropyl)hydroxylamine

Chemical Descriptors

Stereo SMILES (CACTVS) NCCCON
SMILES (CACTVS) NCCCON
Stereo SMILES (OpenEye) C(CN)CON
InChI descriptor InChI=1/C3H10N2O/c4-2-1-3-6-5/h1-5H2
InChIKey descriptor VSZFWDPIWSPZON-UHFFFAOYAJ

Status Information

Last modified 2008-10-14
Created 2007-01-25
Release status REL
Processing site PDBJ