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1314667-39-4 | Benzeneacetonitrile, 2-amino-α,α-dimethyl-
CAS No: 1314667-39-4 Catalog No: AG000W8B MDL No:MFCD19694603
Product Description
Catalog Number:
AG000W8B
Chemical Name:
Benzeneacetonitrile, 2-amino-α,α-dimethyl-
CAS Number:
1314667-39-4
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD19694603
IUPAC Name:
2-(2-aminophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H12N2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6H,12H2,1-2H3
InChI Key:
UGRUQWUBYMBZKU-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1N)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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