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Basic Information
CAS No.: 26728-58-5
Name: 3-METHYL-2-BUTENE-1-AMINE HCL
Molecular Structure:
Molecular Structure of 26728-58-5 (3-METHYL-2-BUTENE-1-AMINE HCL)
Formula: C5H12ClN
Molecular Weight: 121.61
Synonyms: 2-Buten-1-amine,3-methyl-, hydrochloride (9CI);2-Butenylamine, 3-methyl-, hydrochloride (7CI,8CI);3,3-Dimethylallylamine hydrochloride;3-Methyl-2-butenylaminehydrochloride;3-Methylbut-2-en-1-amine hydrochloride;
Density: 0.787 g/cm3
Melting Point: 193-194 °C (decomp)
Boiling Point: 114.1 °C at 760 mmHg
Flash Point: 19.6 °C
PSA: 26.02000
LogP: 2.41360
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Specification

The 2-Buten-1-amine, 3-methyl-, hydrochloride (1:1), with the CAS registry number 26728-58-5, is also known as 3-Methyl-2-butene-1-amine HCl. This chemical's molecular formula is C5H12ClN and molecular weight is 121.61. What's more, its IUPAC name is 3-Methylbut-2-en-1-amine hydrochloride.

Physical properties about 2-Buten-1-amine, 3-methyl-, hydrochloride (1:1) are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 1; (4)Exact Mass: 121.065827; (5)MonoIsotopic Mass: 121.065827; (6)Topological Polar Surface Area: 26; (7)Heavy Atom Count: 7; (8)Formal Charge: 0; (9)Complexity: 51; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: CC(=CCN)C.Cl
(2) InChI: InChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3H,4,6H2,1-2H3;1H
(3) InChIKey: GBGNQLGJDQJQLJ-UHFFFAOYSA-N