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146141-31-3 | Benzenamine, 4-ethynyl-2-methyl-
CAS No: 146141-31-3 Catalog No: AG001DQI MDL No:
Product Description
Catalog Number:
AG001DQI
Chemical Name:
Benzenamine, 4-ethynyl-2-methyl-
CAS Number:
146141-31-3
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
4-ethynyl-2-methylaniline
InChI:
InChI=1S/C9H9N/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,10H2,2H3
InChI Key:
WDNCVJZQRADJNX-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)C)N
Properties
Complexity:
153
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:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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