2-Cyclohexen-1-one,3-amino-2,6-dimethyl- supplier

Name
3-amino-2,6-dimethylcyclohex-2-en-1-one
EINECS 255-020-4
CAS No. 40649-56-7
Article Data2
CAS DataBase
Density 0.995 g/cm³
Solubility
Melting Point
Formula C₈H₁₃NO
Boiling Point 227.2 °C at 760 mmHg
Molecular Weight 139.197
Flash Point 91.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethyl-3-amino-2-cyclohexenone;3-Amino-2,6-dimethylcyclohex-2-en-1-one;
PSA 43.09000
LogP 1.91840

2-Cyclohexen-1-one,3-amino-2,6-dimethyl- Specification

The 2-Cyclohexen-1-one, 3-amino-2, 6-dimethyl-, with the CAS registry number 40649-56-7, is also known as 2, 6-Dimethyl-3-amino-2-cyclohexenone. Its EINECS registry number is 255-020-4. This chemical's molecular formula is C₈H₁₃NO and molecular weight is 139.19492. What's more, its IUPAC name is 3-Amino-2, 6-dimethylcyclohex-2-en-1-one.

Physical properties about 2-Cyclohexen-1-one, 3-amino-2, 6-dimethyl- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 1.25; (6)ACD/BCF (pH 7.4): 2.63; (7)ACD/KOC (pH 5.5): 32.91; (8)ACD/KOC (pH 7.4): 69.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 40.36 cm³; (15)Molar Volume: 139.7 cm³; (16)Polarizability: 16×10^-24 cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 0.995 g/cm³; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 46.38 kJ/mol; (21)Boiling Point: 227.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0785 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C(=C(/N)CCC1C)C
(2) InChI: InChI=1/C8H13NO/c1-5-3-4-7(9)6(2)8(5)10/h5H,3-4,9H2,1-2H3
(3) InChIKey: WQGRVQYVOJPBIL-UHFFFAOYAY

Product Name

3-amino-2,6-dimethylcyclohex-2-en-1-one

2-Cyclohexen-1-one,3-amino-2,6-dimethyl- Specification

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