Butanenitrile, 2-amino-2,3-dimethyl-, (+)-


Chemical Name: Butanenitrile, 2-amino-2,3-dimethyl-, (+)-
CAS Number: 13893-53-3
Product Number: AG0019VH(AGN-PC-0JM0N0)
Synonyms:
MDL No:
Molecular Formula: C6H12N2
Molecular Weight: 112.1729

Identification/Properties


Computed Properties
Molecular Weight:
112.176g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
112.1g/mol
Monoisotopic Mass:
112.1g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
120
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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