Home Nitriles 2-Naphthalenecarbonitrile,3-amino-(9CI)

2-Naphthalenecarbonitrile,3-amino-(9CI)

CAS No.:
27533-39-7
Catalog Number:
AG00C4AK
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
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Product Description
Catalog Number:
AG00C4AK
Chemical Name:
2-Naphthalenecarbonitrile,3-amino-(9CI)
CAS Number:
27533-39-7
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD05664538
IUPAC Name:
3-aminonaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H8N2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6H,13H2
InChI Key:
PAKLAEKJZIMMRL-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2cc1N
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties