CAS No.58878-37-8,2-(2-Chloroethyl)-1-methylpiperidine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58878-37-8
Name:	2-(2-Chloroethyl)-1-methylpiperidine hydrochloride

Formula:	C₈H₁₇Cl₂N
Molecular Weight:	198.13
Synonyms:	2-(2-Chloroethyl)-N-methyl piperidine HCl;
EINECS:	261-480-7
Melting Point:	123-129°C
Boiling Point:	205.1 °C at 760 mmHg
Flash Point:	77.8 °C
Risk Codes:	36
Safety:	26
PSA:	3.24000
LogP:	2.83950

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Specification

The 2-(2-Chloroethyl)-1-methylpiperidine hydrochloride, with the CAS registry number of 58878-37-8, is also known as 2-(2-Chloroethyl)-N-methyl piperidine HCl. Its EINECS registry number is 261-480-7. This chemical's molecular formula is C₈H₁₇Cl₂N and molecular weight is 198.13. What's more, its IUPAC name is 2-(2-Chloroethyl)-1-methylpiperidine hydrochloride.

Physical properties about the 2-(2-Chloroethyl)-1-methylpiperidine hydrochloride are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.88; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 77.8 °C; (14)Enthalpy of Vaporization: 44.13 kJ/mol; (15)Boiling Point: 205.1 °C at 760 mmHg; (16)Vapour Pressure: 0.255 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:[Cl-].ClCCC1[NH+](C)CCCC1
(2) InChI:InChI=1/C8H16ClN.ClH/c1-10-7-3-2-4-8(10)5-6-9;/h8H,2-7H2,1H3;1H
(3) InChIKey:WVBKLELBSWJXAT-UHFFFAOYAL