CAS No.74111-21-0,Cyclohexanol, 2-amino-, (1S,2S)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74111-21-0
Name:	Cyclohexanol, 2-amino-, (1S,2S)-
Article Data:	83

Formula:	C₆H₁₃NO
Molecular Weight:	115.175
Synonyms:	Cyclohexanol,2-amino-, (1S-trans)-;((1S,2S)-2-Hydroxycyclohexyl)amine;(1S,2S)-2-Aminocyclohexanol;(1S,2S)-trans-2-Aminocyclohexanol;(S,S)-(+)-2-Aminocyclohexanol;(S,S)-2-Aminocyclohexanol;
Density:	1.037 g/cm³
Melting Point:	92-94℃
Boiling Point:	201.1 °C at 760 mmHg
Flash Point:	75.4 °C
PSA:	46.25000
LogP:	0.94890

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Specification

This chemical is called Cyclohexanol, 2-amino-,(1S,2S)-, and its systematic name is (1S,2S)-2-aminocyclohexanol. With the molecular formula of C₆H₁₃NO, its molecular weight is 115.17. The CAS registry number of this chemical is 74111-21-0.

Other characteristics of the Cyclohexanol, 2-amino-,(1S,2S)- can be summarised as followings: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.25; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 32.81 cm³; (15)Molar Volume: 111 cm³; (16)Polarizability: 13×10^-24cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.037 g/cm³; (19)Flash Point: 75.4 °C; (20)Enthalpy of Vaporization: 50.88 kJ/mol; (21)Boiling Point: 201.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0773 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O[C@H]1CCCC[C@@H]1N
2.InChI: InChI=1/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6-/m0/s1
3.InChIKey: PQMCFTMVQORYJC-WDSKDSINBD