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15657-58-6

Basic Information
CAS No.: 15657-58-6
Name: 2-methyl-1,4-diaminobutane
Article Data: 5
Molecular Structure:
Molecular Structure of 15657-58-6 (2-methyl-1,4-diaminobutane)
Formula: C5H14N2
Molecular Weight: 102.18
Synonyms: 2-Methyl-1,4-butanediamine;2-Methylputrescine;
Density: 0.860g/cm3
Boiling Point: 160.5°Cat760mmHg
Flash Point: 54 ºC
PSA: 52.04000
LogP: 1.33060
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Specification

The (R)-2-Methylbutane-1,4-diamine with cas registry number of 15657-58-6, its IUPAC name is 2-methylbutane-1,4-diamine.And its systematic name is 1,4-Butanediamine, 2-methyl-. And it is also called 2-methyl-1,4-diaminobutane.

Physical properties about this chemical are: (1)XLogP3-AA: -0.5; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 3; (5)Exact Mass: 102.115698; (6)MonoIsotopic Mass: 102.115698; (7)Topological Polar Surface Area: 52; (8)Heavy Atom Count: 7; (9)Formal Charge: 0; (10)Complexity: 37.1; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H14N2/c1-5(4-7)2-3-6/h5H,2-4,6-7H2,1H3 ;
(2)SMILES: C([C@@H](CCN)C)N.