1-Butanol, 3,3-dimethyl-, carbamate
Completing data — refresh the page later to see the latest
Basic information
- CAS
3124-38-7- Standard SMILES
CC(C)(C)CCOC(N)=O- InChIKey
DOBPAXBDQAYQMF-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- 1-Butanol, 3,3-dimethyl-, carbamate
- IUPAC
- 3,3-dimethylbutyl carbamate
- English name
- 3,3-Dimethyl-1-butanol carbamate
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
3,3-Dimethyl-1-butanol carbamate3,3-Dimethylbutanol carbamate1-BUTANOL, 3,3-DIMETHYL-, CARBAMATE3124-38-7BRN 1903558Carbamic acid, 3,3-dimethylbutyl esterDTXSID80185162RefChem:228802DTXCID901076533,3-dimethylbutyl carbamateSCHEMBL225620SCHEMBL225621
Show more names
1-Butanol, 3,3-dimethyl-, 1-carbamate
CHEMBL2086989AKOS006364660
Database identifiers
- CAS
3124-38-7- PubChem CID
- 18400
- DTXSID
DTXSID80185162- ChEMBL
CHEMBL2086989- Nikkaji
- J70.066E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- 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
- 115
Physicochemical properties
- Boiling point
- 264.33 °C · 264.33°C (rough estimate)
- Density
- 1.0708 · 1.0708 (rough estimate)
- refractive index
- 1.4638 · 1.4638 (estimate)
- Water Solubility
- 4.937 g/L · 4.937g/L(37 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…