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10017-11-5

Basic Information
CAS No.: 10017-11-5
Name: Allylamine Hydrochloride
Molecular Structure:
Molecular Structure of 10017-11-5 (Allylamine Hydrochloride )
Formula: C3H7N.ClH
Molecular Weight: 93.56
Synonyms: 2-Propen-1-amine,hydrochloride (9CI);Allylamine, hydrochloride (6CI,8CI);2-Propenylaminehydrochloride;Allylammonium chloride;
EINECS: 203-463-9
Density: 0.743g/cm3
Melting Point: 106 °C
Boiling Point: 54.3 °C at 760mmHg
Flash Point: >110℃
Solubility: almost transparency
Appearance:
Hazard Symbols: T
Risk Codes: 23/24/25-51/53
Safety: 26-36/37/39
Transport Information:
PSA: 26.02000
LogP: 1.63340
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Specification

The 2-Propen-1-amine,hydrochloride (1:1), with its CAS registry number 10017-11-5, has the systematic name of prop-2-en-1-amine hydrochloride (1:1). And it has the molecular formula of C3H7N.ClH and the molecular weight of 93.56. Being a kind of white powder, it belongs to the product categories which include Omega-Unsaturated Amines; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides.

The characteristics of 2-Propen-1-amine,hydrochloride (1:1) are as follows: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -2.06; (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): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Enthalpy of Vaporization: 29.73 kJ/mol; (14)Boiling Point: 54.3 °C at 760 mmHg; (15)Vapour Pressure: 247 mmHg at 25°C.

When you are using this chemical, you should be careful. This chemical is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. If by inhalation, in contact with skin and if swallowed, it will be very dangerous. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cl.C=C\CN
(2)InChI:InChI=1/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H 
(3)InChIKey:MLGWTHRHHANFCC-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H
(5)Std. InChIKey:MLGWTHRHHANFCC-UHFFFAOYSA-N