CAS No.90000-31-0,4-(2-AMINOETHYL)PIPERIDINE 2HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90000-31-0
Name:	4-(2-AMINOETHYL)PIPERIDINE 2HCL

Formula:	C₇H₁₈Cl₂N₂
Molecular Weight:	201.14
Synonyms:	4-Piperidineethanamine,dihydrochloride (9CI);Piperidine, 4-(2-aminoethyl)-, dihydrochloride (7CI);
Boiling Point:	282.9 °C at 760 mmHg
Flash Point:	124.9 °C
PSA:	38.05000
LogP:	2.96790

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Specification

The 4-Piperidineethanamine,hydrochloride (1:2), with CAS registry number 90000-31-0, belongs to the following product category: Pharmacetical. It has the systematic name of 2-piperidin-4-ylethanamine dihydrochloride. And the chemical formula of this chemical is C₇H₁₈Cl₂N₂.

Physical properties of 4-Piperidineethanamine,hydrochloride (1:2): (1)ACD/LogP: 0.00; (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: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.05 Å²; (11)Flash Point: 124.9 °C; (12)Enthalpy of Vaporization: 53.23 kJ/mol; (13)Boiling Point: 282.9 °C at 760 mmHg; (14)Vapour Pressure: 0.0025 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCC1CCNCC1.Cl.Cl
(2)InChI: InChI=1/C7H16N2.2ClH/c8-4-1-7-2-5-9-6-3-7;;/h7,9H,1-6,8H2;2*1H
(3)InChIKey: FEZGICLENNVUHQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H16N2.2ClH/c8-4-1-7-2-5-9-6-3-7;;/h7,9H,1-6,8H2;2*1H
(5)Std. InChIKey: FEZGICLENNVUHQ-UHFFFAOYSA-N