Home Other Building Blocks Benzenemethanamine, 4-ethynyl-

Benzenemethanamine, 4-ethynyl-

CAS No.:
197844-23-8
Catalog Number:
AG002B45
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
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Product Description
Catalog Number:
AG002B45
Chemical Name:
Benzenemethanamine, 4-ethynyl-
CAS Number:
197844-23-8
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD10698133
IUPAC Name:
(4-ethynylphenyl)methanamine
InChI:
InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H,7,10H2
InChI Key:
JQYMHUXNIQEVSX-UHFFFAOYSA-N
SMILES:
NCc1ccc(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:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties