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139670-58-9 | Benzenepropanenitrile, 4-(dimethylamino)-
CAS No: 139670-58-9 Catalog No: AG001BGT MDL No:MFCD11987109
Product Description
Catalog Number:
AG001BGT
Chemical Name:
Benzenepropanenitrile, 4-(dimethylamino)-
CAS Number:
139670-58-9
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11987109
IUPAC Name:
3-[4-(dimethylamino)phenyl]propanenitrile
InChI:
InChI=1S/C11H14N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h5-8H,3-4H2,1-2H3
InChI Key:
AESISFUKUXEHQJ-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)CCC#N)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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