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| CAS No.: | 33119-72-1 |
|---|---|
| Name: | 1-AMINO-3,3-DIMETHYL-BUTAN-2-ONE HYDROCHLORIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C6H13NO.HCl |
| Molecular Weight: | 151.636 |
| Synonyms: | a-Aminopinacolonehydrochloride; |
| Density: | 0.896g/cm3 |
| Melting Point: | 205 °C |
| Boiling Point: | 198.4 °C at 760 mmHg |
| Flash Point: | 73.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 43.09000 |
| LogP: | 2.06260 |
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Specification
The 1-Amino-3,3-dimethylbutan-2-one hydrochloride with its cas register number is 33119-72-1. It also can be called as 2-Butanone,1-amino-3,3-dimethyl-, hydrochloride (1:1) and the IUPAC name about this chemical is 1-amino-3,3-dimethylbutan-2-one hydrochloride.
Physical properties about 1-Amino-3,3-dimethylbutan-2-one hydrochloride are: (1)ACD/LogP: 0.33 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 11; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 43.09Å2; (10)Enthalpy of Vaporization: 44.35 kJ/mol; (11)Vapour Pressure: 0.304 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(=O)CN.Cl
(2)InChI: InChI=1S/C6H13NO.ClH/c1-6(2,3)5(8)4-7;/h4,7H2,1-3H3;1H
(3)InChIKey: HDVFPYCWYCXEKW-UHFFFAOYSA-N