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Carbamic acid, N,N-bis(hydroxymethyl)-, 2-(2-methylpropoxy)ethyl ester

HCID 85235
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
16005-83-7
Standard SMILES
CC(C)COCCOC(=O)N(CO)CO
InChIKey
GZDSLVJYTXIYNB-UHFFFAOYSA-N
Molecular formula
C9H19NO5
Average molar mass
221.25 g/mol
Monoisotopic mass
221.12632271

Names & identifiers

Preferred name
Carbamic acid, N,N-bis(hydroxymethyl)-, 2-(2-methylpropoxy)ethyl ester
IUPAC
2-(2-methylpropoxy)ethyl N,N-bis(hydroxymethyl)carbamate
English name
Bis(hydroxymethyl)carbamic acid 2-(isobutoxy)ethyl ester
Molecular formula
C9H19NO5
Molecular weight
221.25

Names & synonyms

Bis(hydroxymethyl)carbamic acid, 2-(2-methylpropoxy)ethyl esterCarbamic acid, bis(hydroxymethyl)-, 2-(2-methylpropoxy)ethyl esterCarbamic acid, N,N-bis(hydroxymethyl)-, 2-(2-methylpropoxy)ethyl esterRefChem:5739482-Isobutoxyethyl bis(hydroxymethyl)carbamate16005-83-72-(2-methylpropoxy)ethyl N,N-bis(hydroxymethyl)carbamateBis(hydroxymethyl)carbamic acid 2-(isobutoxy)ethyl esterDTXSID9065992GZDSLVJYTXIYNB-UHFFFAOYSA-N2-(2-methylpropoxy)ethyl bis(hydroxymethyl)carbamate

Database identifiers

CAS
16005-83-7
PubChem CID
85235
DTXSID
DTXSID9065992
Nikkaji
J421.956B

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
79.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
15
Formal charge
0
Complexity
170

Physicochemical properties

EPA Substance Registry System
2 · 2-Isobutoxyethyl bis(hydroxymethyl)carbamate (16005-83-7)
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 InformationCarbamic acid, N,N-bis(hydroxymethyl)-, 2-(2-methylpropoxy)ethyl ester: INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes