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CAS No.: | 147228-35-1 |
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Name: | (R)-3-AMINO-5,5-DIMETHYLHEXANOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H17NO2 |
Molecular Weight: | 159.228 |
Synonyms: | (R)-3-Amino-5,5-dimethylhexanoic acid; |
Density: | 0.999 g/cm3 |
Boiling Point: | 259.2 °C at 760 mmHg |
Flash Point: | 110.6 °C |
PSA: | 63.32000 |
LogP: | 1.92490 |
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The (R)-3-Amino-5,5-dimethylhexanoic acid with the cas number 147228-35-1 is also called Hexanoic acid,3-amino-5,5-dimethyl-, (R)- (9CI). The systematic name is hexanoic acid, 3-amino-5,5-dimethyl-, (3R)-. Its molecular formula is C8H17NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.25; (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: 5; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 44.13 cm3; (13)Molar Volume: 159.3 cm3; (14)Polarizability: 17.49×10-24cm3; (15)Surface Tension: 37.3 dyne/cm; (16)Enthalpy of Vaporization: 54.7 kJ/mol; (17)Vapour Pressure: 0.00396 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C[C@H](CC(=O)O)N
(2)InChI: InChI=1/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-/m0/s1
(3)InChIKey: ZBCPPTZVOXHDMT-LURJTMIEBX