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6147-66-6

Basic Information
CAS No.: 6147-66-6
Name: Diallylamine hydrochloride
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 6147-66-6 (Diallylamine hydrochloride)
Formula: C6H12ClN
Molecular Weight: 133.621
Synonyms: Di-allylamine, hydrochloride;N-(Prop-2-en-1-yl)prop-2-en-1-amine hydrochloride (1:1);
EINECS: N/A
Density: N/A
Melting Point: 166-168 °C
Boiling Point: 115.3 °C at 760 mmHg
Flash Point: 15.6 °C
Solubility: almost transparency
Appearance: N/A
Hazard Symbols: Xn
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: N/A
PSA: 12.03000
LogP: 2.14090
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    Diallyalamine Hydrochloride (DiallylamineHCl; Diallylammonium chloride) CAS: 6147-66-6 MF: C6H12ClN MW:133.62 Mp: 166-168oC Appearance: Liquid

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Specification

The Diallylamine hydrochloride, with the CAS registry number 6147-66-6, is also known as Di-allylamine, hydrochloride. This chemical's molecular formula is C6H12ClN and molecular weight is 133.62. What's more, its systematic name is N-(Prop-2-en-1-yl)prop-2-en-1-amine hydrochloride (1:1).

Physical properties of Diallylamine hydrochloride are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -0.51; (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): 2.3; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 15.6 °C; (14)Enthalpy of Vaporization: 35.37 kJ/mol; (15)Boiling Point: 115.3 °C at 760 mmHg; (16)Vapour Pressure: 19.2 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.C=C\CNC\C=C
(2)InChI: InChI=1/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
(3)InChIKey: PZNOBXVHZYGUEX-UHFFFAOYAC