1-Butanol, 2,2-dimethyl-, carbamate
Basic information
- CAS
3124-44-5- Standard SMILES
CCC(C)(C)COC(N)=O- InChIKey
FPAGVRGNEOLJQY-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- 1-Butanol, 2,2-dimethyl-, carbamate
- IUPAC
- 2,2-dimethylbutyl carbamate
- English name
- Carbamic acid, 2,2-dimethylbutyl ester
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
3124-44-52,2-Dimethyl-1-butanol carbamate1-BUTANOL, 2,2-DIMETHYL-, CARBAMATE2,2-Dimethylbutyl ester of carbamic acidBRN 1903557Carbamic acid, 2,2-dimethylbutyl esterDTXSID20185166RefChem:228793DTXCID301076572,2-dimethylbutyl carbamateSCHEMBL222663SCHEMBL222664
Show more names
1-Butanol, 2,2-dimethyl-, 1-carbamate
AKOS006278174
Database identifiers
- CAS
3124-44-5- PubChem CID
- 18402
- DTXSID
DTXSID20185166- Nikkaji
- J70.065G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
LogP1.45
Physicochemical properties
- Melting point
- 71 · 71.0-71.8 °C
- Boiling point
- 233.3 · 233.3±9.0 °C(Predicted)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
- pka
- 13.52 · 13.52±0.50(Predicted)
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Compound notes
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