CAS No.71581-93-6,(-)-CIS-2-BENZYLAMINOCYCLOHEXANEMETHANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	71581-93-6
Name:	(-)-CIS-2-BENZYLAMINOCYCLOHEXANEMETHANOL
Article Data:	5

Formula:	C₁₄H₂₁NO
Molecular Weight:	219.327
Synonyms:	Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S-cis)-;(-)-cis-2-Benzylaminocyclohexanemethanol;
EINECS:	-0
Density:	1.04 g/cm³
Melting Point:	67-69 °C(lit.)
Boiling Point:	352.8 °C at 760 mmHg
Flash Point:	111.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	32.26000
LogP:	2.71820

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Specification

The CAS register number of Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S,2R)- is 71581-93-6. It also can be called as (+)-cis-2-Benzylaminocyclohexanemethanol and the systematic name about this chemical is [(1S,2R)-2-(benzylamino)cyclohexyl]methanol. The molecular formula about this chemical is C₁₄H₂₁NO and the molecular weight is 219.32. It belongs to the following product categories, such as Chiral; for Resolution of Acids; Optical Resolution; Synthetic Organic Chemistry and so on.

Physical properties about Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S,2R)- are: (1)ACD/LogP: 2.36; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 12.47Å²; (6)Index of Refraction: 1.552; (7)Molar Refractivity: 66.89 cm³; (8)Molar Volume: 209.1 cm³; (9)Polarizability: 26.51x10^-24cm³; (10)Surface Tension: 43 dyne/cm; (11)Flash Point: 111.8 °C; (12)Enthalpy of Vaporization: 63.07 kJ/mol; (13)Boiling Point: 352.8 °C at 760 mmHg; (14)Vapour Pressure: 1.38E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H]2CCCC[C@H]2NCc1ccccc1
(2)InChI: InChI=1/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1
(3)InChIKey: BRQFIORUNWWNBM-ZIAGYGMSBQ
(4)Std. InChI: InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1
(5)Std. InChIKey: BRQFIORUNWWNBM-ZIAGYGMSSA-N