Home Other Building Blocks BENZENAMINE, 3-ETHYNYL-N-METHYL-

BENZENAMINE, 3-ETHYNYL-N-METHYL-

CAS No.:
132056-23-6
Catalog Number:
AG00103X
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
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Product Description
Catalog Number:
AG00103X
Chemical Name:
BENZENAMINE, 3-ETHYNYL-N-METHYL-
CAS Number:
132056-23-6
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD11149823
IUPAC Name:
3-ethynyl-N-methylaniline
InChI:
InChI=1S/C9H9N/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7,10H,2H3
InChI Key:
BWBDNTYSWVIGAB-UHFFFAOYSA-N
SMILES:
CNc1cccc(c1)C#C
Properties
Complexity:
142  
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:
2.2  
Properties