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100951-55-1 | Propanamide, N-(cyanophenylmethyl)-2-(diethylamino)-
CAS No: 100951-55-1 Catalog No: AG0003B4 MDL No:
Product Description
Catalog Number:
AG0003B4
Chemical Name:
Propanamide, N-(cyanophenylmethyl)-2-(diethylamino)-
CAS Number:
100951-55-1
Molecular Formula:
C15H21N3O
Molecular Weight:
259.3467
IUPAC Name:
N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide
InChI:
InChI=1S/C15H21N3O/c1-4-18(5-2)12(3)15(19)17-14(11-16)13-9-7-6-8-10-13/h6-10,12,14H,4-5H2,1-3H3,(H,17,19)
InChI Key:
PHJPBXDBGUPVDE-UHFFFAOYSA-N
SMILES:
CCN(C(C(=O)NC(c1ccccc1)C#N)C)CC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.353g/mol
Monoisotopic Mass:
259.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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