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130985-81-8

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Basic Information
CAS No.: 130985-81-8
Name: METHYL-(3-PENTYL)-AMINE HCL
Molecular Structure:
Molecular Structure of 130985-81-8 (METHYL-(3-PENTYL)-AMINE HCL)
Formula: C6H16ClN
Molecular Weight: 137.65094
Synonyms: 3-Pentanamine,N-methyl-, hydrochloride (9CI);N-methylpentan-3-amine hydrochloride;3-Pentanamine, N-methyl-, hydrochloride (1:1);N-Methylpentan-3-amine hydrochloride (1:1);
Boiling Point: 150.4 °C at 760 mmHg
Flash Point: 44.7 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 12.03000
LogP: 2.58730
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Specification

The Methyl-(3-pentyl)amine hydrchloride with CAS registry number of 130985-81-8 is also called 3-Pentanamine,N-methyl-, hydrochloride (9CI). The IUPAC name is N-methylpentan-3-amine hydrochloride. In addition, the formula is C6H16ClN and the molecular weight is 137.65094.

Physical properties about Methyl-(3-pentyl)amine hydrchloride are: (1)ACD/LogP: 1.51; (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: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 12.03 Å2 ; (11)Flash Point: 44.7 °C; (12)Enthalpy of Vaporization: 39.52 kJ/mol; (13)Boiling Point: 150.4 °C at 760 mmHg; (14)Vapour Pressure: 3.42 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCC(CC)NC
(2)InChI: InChI=1/C6H15N.ClH/c1-4-6(5-2)7-3;/h6-7H,4-5H2,1-3H3;1H
(3)InChIKey: VTOBVEWRGMUFJJ-UHFFFAOYAH