PDB Chemical Component BHH

Ideal Model

Chemical Description

Name N-BUTYL-N'-HYDROXYGUANIDINE
Formula C5 H13 N3 O
Formal charge 0
Molecular weight 131.176 g/mol
Component type NON-POLYMER

Chemical features

Atom count 22
Chiral atom count 0
Bond count 21
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 1-butyl-3-hydroxyguanidine
Systematic name (OpenEye OEToolkits) 1-butyl-3-hydroxy-guanidine

Chemical Descriptors

Stereo SMILES (CACTVS) CCCCNC(=N)NO
SMILES (CACTVS) CCCCNC(=N)NO
Stereo SMILES (OpenEye) CCCCNC(=N)NO
InChI descriptor InChI=1/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)/f/h6-8H
InChIKey descriptor ULDDTFAPYWLDGF-FPCDIPPHCY

Status Information

Last modified 2008-10-14
Created 2002-06-25
Release status REL
Model PDB code 1M00
Processing site RCSB