CAS No.1205-72-7,4-AMINO-1-BENZYLPIPERIDINE DIHYDROCHLORIDE HYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1205-72-7
Name:	4-AMINO-1-BENZYLPIPERIDINE DIHYDROCHLORIDE HYDRATE
Article Data:	1

Formula:	C₁₂H₁₈N₂^.2HCl
Molecular Weight:	263.21
Synonyms:	4-Piperidinamine,1-(phenylmethyl)-, dihydrochloride (9CI);Piperidine, 4-amino-1-benzyl-, dihydrochloride(6CI,7CI,8CI);1-Benzyl-4-aminopiperidine dihydrochloride;4-Amino-1-benzylpiperidine dihydrochloride;
EINECS:	214-886-3
Melting Point:	275 °C
Boiling Point:	349 °C at 760 mmHg
Flash Point:	164.8 °C
Appearance:	white to very slightly yellow fine crystaline powder
Safety:	24/25
PSA:	29.26000
LogP:	3.04990

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Specification

The 4-Amino-1-benzylpiperidine dihydrochloride hydrate, with the CAS registry number 1205-72-7 and EINECS registry number 214-886-3, has the systematic name of 1-benzylpiperidin-4-amine dihydrochloride. It is a kind of white to very slightly yellow fine crystaline powder, and belongs to the following product categories: Pyridine series; Amines; Pyrans, Piperidines & Piperazines. The molecular formula of the chemical is C₁₂H₁₈N₂^.2HCl. What's more, while dealing with this chemical, you had better avoid contact with skin and eyes.

The characteristics of 4-Amino-1-benzylpiperidine dihydrochloride hydrate are as followings: (1)ACD/LogP: 1.36; (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: 3; (10)Polar Surface Area: 29.26 Å²; (11)Flash Point: 164.8 °C; (12)Enthalpy of Vaporization: 60.51 kJ/mol; (13)Boiling Point: 349 °C at 760 mmHg; (14)Vapour Pressure: 3.42E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Cl.NC2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H
(3)InChIKey: RDEUNWFXSVDHCI-UHFFFAOYAZ