Home Other Building Blocks N-benzyl-3-ethynylaniline

N-benzyl-3-ethynylaniline

CAS No.:
864754-01-8
Catalog Number:
AG01AAGB
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
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Product Description
Catalog Number:
AG01AAGB
Chemical Name:
N-benzyl-3-ethynylaniline
CAS Number:
864754-01-8
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD11138257
IUPAC Name:
N-benzyl-3-ethynylaniline
InChI:
InChI=1S/C15H13N/c1-2-13-9-6-10-15(11-13)16-12-14-7-4-3-5-8-14/h1,3-11,16H,12H2
InChI Key:
HOJRZUZHFVUTHL-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NCc1ccccc1
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties