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6147-66-6

Basic Information
CAS No.: 6147-66-6
Name: Diallylamine hydrochloride
Article Data: 3
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);
Density: 0.93-0.934 at 20℃
Melting Point: 166-168 °C
Boiling Point: 115.3 °C at 760 mmHg
Flash Point: 15.6 °C
Solubility: almost transparency
Hazard Symbols: Xn
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 12.03000
LogP: 2.14090
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    DIALLYLAMINE HYDROCHLORIDE Chemical Properties Melting point 166-168°C Water Solubility almost transparency Safety Information Hazard Codes Xn Risk Statements 36/37/38-41-22 Safety Statements 26-36/37/39-39

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    英文名称: DIALLYLAMINE HYDROCHLORIDE CAS号: 6147-66-6 分子式: C6H12ClN 熔点 166-168°C 沸点 142℃ at 101.325kPa 密度 0.93-0.934 at 20℃ 蒸气压 61.862Pa at 20℃ 形态 powder to crystal 颜色 White to Light yellow 水溶解性 almost transparency LogP -0.653 at

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    Diallylamine hydrochloride 6147-66-6 C6H12ClN Di-allylamine, hydrochloride N-Allylprop-2-en-1-amine hydrochloride (1:1) 2-Propen-1-amine, N-2-propen-1-yl-, hydrochloride (1:1) N-prop-2-enylprop-2-en-1-amine,hydrochloride N-Allyl-2-propen-

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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