Carbamic acid, isobutyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)

HCID 212914

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Basic information

CAS: 25384-83-2
Standard SMILES: CCCC(C)(COC(N)=O)COC(=O)NCC(C)C
InChIKey: ZCDCPZLUPGJYAF-UHFFFAOYSA-N
Molecular formula: C13H26N2O4
Average molar mass: 274.36 g/mol
Monoisotopic mass: 274.18925731

Names & identifiers

Preferred name: Carbamic acid, isobutyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] N-(2-methylpropyl)carbamate

Names & synonyms

Carbamic acid, isobutyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)25384-83-2RefChem:1080912Isobutylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)BRN 2374591

Database identifiers

CAS: 25384-83-2
PubChem CID: 212914

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 19
Formal charge: 0
Complexity: 294

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