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119754-15-3 | Benzenamine, 4-ethynyl-N-methyl-
CAS No: 119754-15-3 Catalog No: AG000PLM MDL No:
Product Description
Catalog Number:
AG000PLM
Chemical Name:
Benzenamine, 4-ethynyl-N-methyl-
CAS Number:
119754-15-3
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
4-ethynyl-N-methylaniline
InChI:
InChI=1S/C9H9N/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7,10H,2H3
InChI Key:
IKOHNQMAAVLTMH-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)C#C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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