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Phosphonic acid, P-(hydroxymethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester

HCID 175136
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
72749-63-4
Standard SMILES
CCOP(=O)(CO)OCCOC(N)=O
InChIKey
UCLMAMCZTXSICG-UHFFFAOYSA-N
Molecular formula
C6H14NO6P
Average molar mass
227.15 g/mol
Monoisotopic mass
227.05587416

Names & identifiers

Preferred name
Phosphonic acid, P-(hydroxymethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester
IUPAC
2-[ethoxy(hydroxymethyl)phosphoryl]oxyethyl carbamate
English name
2-[(aminocarbonyl)oxy]ethyl ethyl (hydroxymethyl)phosphonate
Molecular formula
C6H14NO6P
Molecular weight
227.15

Names & synonyms

EINECS 276-812-6DTXSID60888184Phosphonic acid, (hydroxymethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl esterPhosphonic acid, P-(hydroxymethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl esterPhosphonic acid, (hydroxymethyl)-, 2-[(aminocarbonyl)oxy]ethyl ethyl esterPhosphonic acid, P-(hydroxymethyl)-, 2-[(aminocarbonyl)oxy]ethyl ethyl esterRefChem:862215DTXCID30102746672749-63-4UCLMAMCZTXSICG-UHFFFAOYSA-N2-((Aminocarbonyl)oxy)ethyl ethyl (hydroxymethyl)phosphonateNS00062062
Show more names
2-[(aminocarbonyl)oxy]ethyl ethyl (hydroxymethyl)phosphonateHydroxymethylphosphonic acid 2-(aminocarbonyloxy)ethylethyl ester
2-(Carbamoyloxy)ethyl ethyl (hydroxymethyl)phosphonate

Database identifiers

CAS

Properties

Computed structural properties

XLogP
-1.4
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
14
Formal charge
0
Complexity
220

Physicochemical properties

EPA Substance Registry System
2 · Phosphonic acid, (hydroxymethyl)-, 2-[(aminocarbonyl)oxy]ethyl ethyl ester (72749-63-4)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphonic acid, P-(hydroxymethyl)-, 2-[(aminocarbonyl)oxy]ethyl ethyl ester: INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
72749-63-4
PubChem CID
175136
DTXSID
DTXSID60888184
EC Number
276-812-6
Nikkaji
J296.369H