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131288-67-0

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Basic Information
CAS No.: 131288-67-0
Name: (S)-2-AMINO-3-CYCLOHEXYL-PROPAN-1-OL
Article Data: 5
Molecular Structure:
Molecular Structure of 131288-67-0 ((S)-2-AMINO-3-CYCLOHEXYL-PROPAN-1-OL)
Formula: C9H19NO
Molecular Weight: 157.256
Synonyms: S-(+)-2-Amino-3-cyclohexyl-1-propanol;((S)-1-(Cyclohexylmethyl)-2-hydroxyethyl)amine;(S)-2-Amino-3-cyclohexyl-1-propanol;Cyclohexanepropanol,b-amino-, (S)-;(+)-(2S)-2-Amino-3-cyclohexyl-1-propanol;
Density: 0.97 g/cm3
Boiling Point: 289.5 °C at 760 mmHg
Flash Point: 128.9 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 46.25000
LogP: 1.97670
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Specification

The Cyclohexanepropanol, b-amino-, (bS)-, with CAS registry number 131288-67-0, belongs to the following product categories: (1)Amino Alcohols; (2)Pharmacetical. It has the systematic name of (2S)-2-amino-3-cyclohexylpropan-1-ol. And the chemical formula of this chemical is C9H19NO.

Physical properties of Cyclohexanepropanol, b-amino-, (bS)-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.487; (8)Molar Refractivity: 46.65 cm3; (9)Molar Volume: 162 cm3; (10)Polarizability: 18.49×10-24cm3; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 0.97 g/cm3; (13)Flash Point: 128.9 °C; (14)Enthalpy of Vaporization: 61.36 kJ/mol; (15)Boiling Point: 289.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000241 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H](N)CC1CCCCC1
(2)InChI: InChI=1/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1
(3)InChIKey: QWDRYURVUDZKSG-VIFPVBQEBD
(4)Std. InChI: InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1
(5)Std. InChIKey: QWDRYURVUDZKSG-VIFPVBQESA-N