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89151-72-4 | 2-Pentenenitrile, 3-amino-4,4-dimethyl-
CAS No: 89151-72-4 Catalog No: AG003WS6 MDL No:
Product Description
Catalog Number:
AG003WS6
Chemical Name:
2-Pentenenitrile, 3-amino-4,4-dimethyl-
CAS Number:
89151-72-4
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
IUPAC Name:
3-amino-4,4-dimethylpent-2-enenitrile
InChI:
InChI=1S/C7H12N2/c1-7(2,3)6(9)4-5-8/h4H,9H2,1-3H3
InChI Key:
DPCUHGFSIXGSIH-UHFFFAOYSA-N
SMILES:
N#CC=C(C(C)(C)C)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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