CAS No.127285-07-8,4-AMINO-1-N-PHENYLETHYLPIPERIDINE HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127285-07-8
Name:	4-AMINO-1-N-PHENYLETHYLPIPERIDINE HCL
Article Data:	2

Formula:	C₁₃H₂₁ClN₂
Molecular Weight:	240.776
Synonyms:	4-Piperidinamine,1-(2-phenylethyl)-, monohydrochloride (9CI);4-Amino-1-(2-phenylethyl)piperidine hydrochloride;
Boiling Point:	305.7 °C at 760 mmHg
Flash Point:	127.6 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	29.26000
LogP:	3.09240

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Specification

The 4-Piperidinamine,1-(2-phenylethyl)-, hydrochloride (1:1), with CAS registry number 127285-07-8, has the systematic name of 1-(2-phenylethyl)piperidin-4-aminium chloride. Besides this, it is also called 4-Amino-1-N-Phenylethylpiperidine HCL. And the chemical formula of this chemical is C₁₃H₂₁ClN₂.

Physical properties of 4-Piperidinamine,1-(2-phenylethyl)-, hydrochloride (1:1): (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.26 Å²; (11)Flash Point: 127.6 °C; (12)Enthalpy of Vaporization: 54.61 kJ/mol; (13)Boiling Point: 305.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000809 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1(ccccc1)CCN2CCC(CC2)[NH3+]
(2)InChI: InChI=1/C13H20N2.ClH/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H
(3)InChIKey: LTHSVKBFWOSWKK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H20N2.ClH/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H
(5)Std. InChIKey: LTHSVKBFWOSWKK-UHFFFAOYSA-N