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2-(dimethylaminoethyl)phosphonate

PropertiesImage
MNX_IDMNXM6703 Image of MNXM6703
referencechebi:231836
formulaC4H12NO3P
global charge0
mol weight153.118
InChIKeyQVUUJUCAEDDQDR-UHFFFAOYSA-N
InChIInChI=1S/C4H12NO3P/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)
SMILESC[NH+](C)CCP(=O)([O-])O
MNX internals
InChI (mnx)InChI=1/C4H12NO3P/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8) Image of MNXM6703
SMILES (mnx)[CH3:1][N:5]([CH3:2])[CH2:3][CH2:4][P:9]([OH:6])([OH:7])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:231836
chebi:231836
QVUUJUCAEDDQDR-UHFFFAOYSA-N 		2-(dimethylaminoethyl)phosphonate
2-(dimethylaminoethyl)phosphonate zwitterion

seed.compound:cpd03383
seedM:cpd03383
QVUUJUCAEDDQDR-UHFFFAOYSA-N 		2-Dimethylaminoethylphosphonate
N-Dimethyl-2-aminoethylphosphonate

CHEBI:7265
chebi:7265
QVUUJUCAEDDQDR-UHFFFAOYSA-N 		2-dimethylaminoethylphosphonic acid
(2-(Dimethylamino)ethyl)phosphonic acid
2-Dimethylaminoethylphosphonate
N,N-dimethyl-2-aminoethylphosphonic acid
N-Dimethyl-2-aminoethylphosphonate
[2-(dimethylamino)ethyl]phosphonic acid

kegg.compound:C05680
keggC:C05680
QVUUJUCAEDDQDR-UHFFFAOYSA-N 		N-Dimethyl-2-aminoethylphosphonate
2-Dimethylaminoethylphosphonate

keggC:M_C05680
seedM:M_cpd03383 		secondary/obsolete/fantasy identifier