Isoamyl carbamate
Basic information
- CAS
543-86-2- Standard SMILES
CC(C)CCOC(N)=O- InChIKey
OLCIOXGQTLVZQT-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- Isoamyl carbamate
- IUPAC
- 3-methylbutyl carbamate
- English name
- Isoamyl carbamate
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
ISOAMYL CARBAMATEIsopentyl carbamate543-86-23-methylbutyl carbamateIsoamyl aminoformateCarbamate (isoamyl)1-Butanol, 3-methyl-, carbamateBRN 1748974Carbamic acid, isopentyl esterIsoamylcarbaminatSCHEMBL224099SCHEMBL224100
Show more names
isoamyl urethanisoamyl urethaneCarbamic acid isoamyl esterCarbamic acid isopentyl ester1-Butanol, 3-methyl-, 1-carbamate
SCHEMBL14895398DTXSID50969350OLCIOXGQTLVZQT-UHFFFAOYSA-N3-Methylbutyl hydrogen carbonimidateAKOS006337789
Database identifiers
- CAS
543-86-2- PubChem CID
- 10984
- DTXSID
DTXSID50969350- Nikkaji
- J6.406H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- Melting point
- 64 · 64-66℃
- Boiling point
- 220 ℃ · 220℃
- Density
- 0.9438 · 0.9438
- refractive index
- 1.4175 · 1.4175
- Water Solubility
- 4.801 g/L · 4.801g/L(15.5 ºC)
Related reactions
1 records
Compound notes
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