Name: 1-METHYL-PROP-2-YNYLAMINE HYDROCHLORIDE
SKU: 42105-26-0

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Basic Information

Molecular Structure:
CAS No.:	42105-26-0
Name:	1-METHYL-PROP-2-YNYLAMINE HYDROCHLORIDE
Article Data:	5

Formula:	C₄H₈ClN
Molecular Weight:	105.567
Synonyms:	2-Propynylamine,1-methyl-, hydrochloride (6CI);
Boiling Point:	132.4 °C at 760 mmHg
Flash Point:	33.9 °C
PSA:	26.02000
LogP:	1.46910

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Specification

The 3-Butyn-2-amine, hydrochloride (9CI), with the CAS registry number 42105-26-0, is also known as 1-Methyl-prop-2-ynylamine hydrochloride. This chemical's molecular formula is C₄H₈ClN and molecular weight is 105.56602. What's more, its systematic name is But-3-yn-2-amine hydrochloride.

Physical properties about 3-Butyn-2-amine, hydrochloride (9CI) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.14; (6)#H bond acceptors: 1; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 26.02 Å²; (10)Flash Point: 33.9 °C; (11)Enthalpy of Vaporization: 37.76 kJ/mol; (12)Boiling Point: 132.4 °C at 760 mmHg; (13)Vapour Pressure: 8.02 mmHg at 25 °C.

Uses of 3-Butyn-2-amine, hydrochloride (9CI): it is used to produce other chemicals. For example, it is used to produce 1-(2-Chloroethyl)-3-(1-methyl-2-propynyl)urea at ambient temperature. The reaction needs reagent Et₃N and solvent Acetonitrile. The yield is about 86 %.

The 3-Butyn-2-amine, hydrochloride (9CI) can react with 1-Chloro-2-isocyanato-ethane to get 1-(2-Chloroethyl)-3-(1-methyl-2-propynyl)urea.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.C#CC(C)N
(2) InChI: InChI=1/C4H7N.ClH/c1-3-4(2)5;/h1,4H,5H2,2H3;1H
(3) InChIKey: YSJBFJIMQKWSDK-UHFFFAOYAK