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168074-12-2 | Benzenamine, N-methyl-N-(3-phenyl-2-propyn-1-yl)-
CAS No: 168074-12-2 Catalog No: AG001XSN MDL No:
Product Description
Catalog Number:
AG001XSN
Chemical Name:
Benzenamine, N-methyl-N-(3-phenyl-2-propyn-1-yl)-
CAS Number:
168074-12-2
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
N-methyl-N-(3-phenylprop-2-ynyl)aniline
InChI:
InChI=1S/C16H15N/c1-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13H,14H2,1H3
InChI Key:
DCZUGPCXGKRVBQ-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)CC#Cc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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