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130416-46-5 | Benzonitrile, 4-(1-amino-1-methylethyl)-
CAS No: 130416-46-5 Catalog No: AG000UE3 MDL No:MFCD13189643
Product Description
Catalog Number:
AG000UE3
Chemical Name:
Benzonitrile, 4-(1-amino-1-methylethyl)-
CAS Number:
130416-46-5
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD13189643
IUPAC Name:
4-(2-aminopropan-2-yl)benzonitrile
InChI:
InChI=1S/C10H12N2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6H,12H2,1-2H3
InChI Key:
OOSCSCBYFWCCDC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(N)(C)C
Properties
Complexity:
191
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:
1.1
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