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| CAS No.: | 1196090-89-7 |
|---|---|
| Name: | (R)-2-Amino-2-methyl-hept-6-enoic acid |
| Molecular Structure: | |
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| Formula: | C8H15NO2 |
| Molecular Weight: | 157.2102 |
| Synonyms: | (R)-2-(5'-Pentenyl) Alanine |
| Density: | 1.02 g/cm3 |
| Boiling Point: | 272.4 °C at 760 mmHg |
| Flash Point: | 118.5 °C |
| PSA: | 63.32000 |
| LogP: | 1.84500 |
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Specification
The (R)-2-Amino-2-methyl-hept-6-enoic acid has CAS registry number 1196090-89-7. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.2102.
Physical properties about (R)-2-Amino-2-methyl-hept-6-enoic acid are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 43.9 cm3; (13)Molar Volume: 154 cm3; (14)Polarizability: 17.4×10-24 cm3; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1.02 g/cm3; (17)Flash Point: 118.5 °C; (18)Enthalpy of Vaporization: 56.21 kJ/mol; (19)Boiling Point: 272.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0017 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@](N)(CCC/C=C)C
(2) InChI: InChI=1/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1
(3) InChIKey: AERCCJGORROTKW-QMMMGPOBBJ