Cyclohexanol,2-[[(phenylmethyl)amino]methyl]-, cis- (9CI) supplier

Name
CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEXANOL HYDROCHLORIDE
EINECS
CAS No. 77612-17-0
Article Data5
CAS DataBase
Density 1.041±0.06 g/cm3(Predicted)
Solubility
Melting Point 167-170 °C
Formula C₁₄H₂₂ClNO
Boiling Point 347.63 °C at 760 mmHg
Molecular Weight 219.327
Flash Point 107.597 °C
Transport Information
Appearance
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-benzyl[(1S,2S)-2-hydroxycyclohexyl]methanaminium;
PSA 32.26000
LogP 3.52020

Cyclohexanol,2-[[(phenylmethyl)amino]methyl]-, cis- (9CI) Specification

The Cyclohexanol,2-[[(phenylmethyl)amino]methyl]-, cis- (9CI), with the CAS registry number 77612-17-0, has the systematic name of N-benzyl[(1S,2S)-2-hydroxycyclohexyl]methanaminium. And the molecular formula of the chemical is C₁₄H₂₂ClNO.

The characteristics of Cyclohexanol,2-[[(phenylmethyl)amino]methyl]-, cis- (9CI) are as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 36.84 Å²; (7)Flash Point: 107.597 °C; (8)Enthalpy of Vaporization: 62.468 kJ/mol; (9)Boiling Point: 347.63 °C at 760 mmHg; (10)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@H]2CCCC[C@H]2C[NH2+]Cc1ccccc1
(2)InChI: InChI=1/C14H21NO/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/p+1/t13-,14-/m0/s1
(3)InChIKey: YJLQAIUYPBPBBG-IIMILBHIBY

Product Name

CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEXANOL HYDROCHLORIDE

Cyclohexanol,2-[[(phenylmethyl)amino]methyl]-, cis- (9CI) Specification

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