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Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S,2R)-

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Name

Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S,2R)-

EINECS -0
CAS No. 71581-93-6 Density 1.04 g/cm3
PSA 32.26000 LogP 2.71820
Solubility N/A Melting Point 67-69 °C(lit.)
Formula C14H21NO Boiling Point 352.8 °C at 760 mmHg
Molecular Weight 219.327 Flash Point 111.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 71581-93-6 ((-)-CIS-2-BENZYLAMINOCYCLOHEXANEMETHANOL) Hazard Symbols IrritantXi
Synonyms

Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S-cis)-;(-)-cis-2-Benzylaminocyclohexanemethanol;

Article Data 5

Cyclohexanemethanol,2-[(phenylmethyl)amino]-, (1S,2R)- 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

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