Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester

HCID 212904

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Basic information

CAS: 25384-41-2
Standard SMILES: CCCCN(CCCC)C(=O)OCC(C)(CO)CCC
InChIKey: CMBVQXWTMHCRGN-UHFFFAOYSA-N
Molecular formula: C16H33NO3
Average molar mass: 287.44 g/mol
Monoisotopic mass: 287.24604391

Names & identifiers

Preferred name: Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester
IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N,N-dibutylcarbamate

Names & synonyms

25384-41-2Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl esterRefChem:1080882Dibutylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester2-(hydroxymethyl)-2-methylpentyl dibutylcarbamateBRN 3083142DTXSID10948227

Database identifiers

CAS: 25384-41-2
PubChem CID: 212904
DTXSID: DTXSID10948227

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 20
Formal charge: 0
Complexity: 250

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