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.
|