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Carbamic acid, N,N-bis(hydroxymethyl)-, methyl ester

HCID 78628
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4913-31-9
Standard SMILES
COC(=O)N(CO)CO
InChIKey
SXVDZIOMWSPFCO-UHFFFAOYSA-N
Molecular formula
C4H9NO4
Average molar mass
135.12 g/mol
Monoisotopic mass
135.05315777

Names & identifiers

Preferred name
Carbamic acid, N,N-bis(hydroxymethyl)-, methyl ester
IUPAC
methyl N,N-bis(hydroxymethyl)carbamate
English name
methyl bis(hydroxymethyl)carbamate
Molecular formula
C4H9NO4
Molecular weight
135.12

Names & synonyms

Methyl dimethylolcarbamateDimethylol methyl carbamateProx MCAKapra Set 14354913-31-9N-Dimethylol methyl carbamateMethyl N,N-dimethylolcarbamateN,N-Dimethylolmethyl carbamateCarbamic acid, bis(hydroxymethyl)-, methyl esterEINECS 225-540-6NSC 67668Carbamic acid, N,N-bis(hydroxymethyl)-, methyl ester
Show more names
Bis(hydroxymethyl)carbamic acid methyl ester
DTXSID1063647RefChem:573949DTXCID0040672Methyl bis(hydroxymethyl)carbamateNSC67668NSC-67668methyl N,N-bis(hydroxymethyl)carbamateHA7HV2YZ2B

Database identifiers

CAS
4913-31-9
PubChem CID
78628
DTXSID
DTXSID1063647
UNII
HA7HV2YZ2B
EC Number
225-540-6
Nikkaji
J262.525C

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
70 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
90.6

Physicochemical properties

Boiling point
245 · 245.0±33.0 °C(Predicted)
Density
1.347 · 1.347±0.06 g/cm3(Predicted)
pka
13.25 · 13.25±0.10(Predicted)
FDA UNII
7 HV2YZ2B · HA7HV2YZ2B
EPA Substance Registry System
Methyl dimethylolcarbamate (4913-31-9)
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.

Hazard information

Regulatory InformationChemical: Carbamic acid, bis(hydroxymethyl)-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbamic acid, N,N-bis(hydroxymethyl)-, methyl ester: INACTIVE

Suppliers2 total

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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