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Cyclohexanepropanol, b-amino-, (bR)- (205445-49-4)

Identification
Name:Cyclohexanepropanol, b-amino-, (bR)-
Synonyms:Cyclohexanepropanol,b-amino-, (R)-;(2R)-2-Amino-3-cyclohexyl-1-propanol;
CAS:205445-49-4
Molecular Formula: C9H19NO
Molecular Weight: 157.25
InChI: InChI=1/C9H19NO/c1-7(10)9(11)8-5-3-2-4-6-8/h7-9,11H,2-6,10H2,1H3/t7-,9?/m0/s1
Molecular Structure: (C9H19NO) Cyclohexanepropanol,b-amino-, (R)-;(2R)-2-Amino-3-cyclohexyl-1-propanol;
Properties
Flash Point: 129 ºC
Boiling Point: 289 ºC
Density:0.970
Refractive index:1.493
Specification:

The D-Cyclohexylalaninol with its cas register number is 205445-49-4. It also can be called as D-Cyclohexylalaninol and the Systematic name about this chemical is (2R)-2-(cyclohexylamino)propan-1-ol. It belongs to the Peptide.

Physical properties about D-Cyclohexylalaninol are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): -1.65; (3)ACD/LogD (pH 7.4): -1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 46.81 cm3; (14)Molar Volume: 165.3 cm3; (15)Polarizability: 18.5510-24cm3; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 59.65 kJ/mol; (18)Vapour Pressure: 0.000641 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H](NC1CCCCC1)C
(2)InChI: InChI=1/C9H19NO/c1-8(7-11)10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1
(3)InChIKey: XPWWRSIBXKFKTA-MRVPVSSYBN
(4)Std. InChI: InChI=1S/C9H19NO/c1-8(7-11)10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1
(5)Std. InChIKey: XPWWRSIBXKFKTA-MRVPVSSYSA-N

Flash Point: 129 ºC
Safety Data
 

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