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85241-00-5 | 2-Propynamide, N,N-diethyl-3-phenyl-
CAS No: 85241-00-5 Catalog No: AG004LUZ MDL No:
Product Description
Catalog Number:
AG004LUZ
Chemical Name:
2-Propynamide, N,N-diethyl-3-phenyl-
CAS Number:
85241-00-5
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
N,N-diethyl-3-phenylprop-2-ynamide
InChI:
InChI=1S/C13H15NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-9H,3-4H2,1-2H3
InChI Key:
FUFJFNDOQYWNKZ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C#Cc1ccccc1)CC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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