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77612-17-0

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Basic Information
CAS No.: 77612-17-0
Name: CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEXANOL HYDROCHLORIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 77612-17-0 (CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEXANOL HYDROCHLORIDE)
Formula: C14H22ClNO
Molecular Weight: 219.327
Synonyms: N-benzyl[(1S,2S)-2-hydroxycyclohexyl]methanaminium;
Density: 1.041±0.06 g/cm3(Predicted)
Melting Point: 167-170 °C
Boiling Point: 347.63 °C at 760 mmHg
Flash Point: 107.597 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 32.26000
LogP: 3.52020
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  • Cyclohexanol,2-[[(phenylmethyl)amino]methyl]-, cis- (9CI)

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    77612-17-0

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

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

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    77612-17-0

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

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

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    77612-17-0

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

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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

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    77612-17-0

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

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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  • CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEXANOL HYDROCHLORIDE

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    77612-17-0

    CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEXANOL HYDROCHLORIDE

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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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