Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-3-methylhexyl ester, carbamate (ester)

HCID 212911

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Basic information

CAS: 25384-62-7
Standard SMILES: C#CCNC(=O)OCC(CNC(=O)O)C(C)CCC
InChIKey: NRCAWZFRHVDGMR-UHFFFAOYSA-N
Molecular formula: C13H22N2O4
Average molar mass: 270.32 g/mol
Monoisotopic mass: 270.15795719

Names & identifiers

Preferred name: Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-3-methylhexyl ester, carbamate (ester)
IUPAC: [3-methyl-2-(prop-2-ynylcarbamoyloxymethyl)hexyl]carbamic acid

Names & synonyms

2-Propynylcarbamic acid 2-(hydroxymethyl)-3-methylhexyl ester carbamate (ester)25384-62-7Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-3-methylhexyl ester, carbamate (ester)RefChem:332275DTXSID60948237[2-({Hydroxy[(prop-2-yn-1-yl)imino]methoxy}methyl)-3-methylhexyl]carbamic acid

Database identifiers

CAS: 25384-62-7
PubChem CID: 212911
DTXSID: DTXSID60948237

Properties

Computed structural properties

XLogP: 2.1
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: 335

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