Carbamic acid, sec-butyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)

HCID 212913

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Basic information

CAS: 25384-82-1
Standard SMILES: CCCC(C)(CNC(=O)O)COC(=O)NC(C)CC
InChIKey: RBXZOZRVBSQVSL-UHFFFAOYSA-N
Molecular formula: C13H26N2O4
Average molar mass: 274.36 g/mol
Monoisotopic mass: 274.18925731

Names & identifiers

Preferred name: Carbamic acid, sec-butyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
IUPAC: [2-(butan-2-ylcarbamoyloxymethyl)-2-methylpentyl]carbamic acid

Names & synonyms

25384-82-1sec-Butylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)2-(Hydroxymethyl)-2-methylpentyl sec-butylcarbamate carbamate (ester)Carbamic acid, sec-butyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)RefChem:332739DTXSID80948239[2-({[(Butan-2-yl)imino](hydroxy)methoxy}methyl)-2-methylpentyl]carbamic acid

Database identifiers

CAS: 25384-82-1
PubChem CID: 212913
DTXSID: DTXSID80948239

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 87.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 19
Formal charge: 0
Complexity: 296

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