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128203-33-8 | Pentanenitrile, 2-amino-3-methyl-
CAS No: 128203-33-8 Catalog No: AG000XV8 MDL No:
Product Description
Catalog Number:
AG000XV8
Chemical Name:
Pentanenitrile, 2-amino-3-methyl-
CAS Number:
128203-33-8
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
IUPAC Name:
2-amino-3-methylpentanenitrile
InChI:
InChI=1S/C6H12N2/c1-3-5(2)6(8)4-7/h5-6H,3,8H2,1-2H3
InChI Key:
WYCYTTXKDCBDRD-UHFFFAOYSA-N
SMILES:
CCC(C(C#N)N)C
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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