Home Nitriles 1H-Pyrrole-3-carbonitrile,2-amino-4-methyl-(9CI)

1H-Pyrrole-3-carbonitrile,2-amino-4-methyl-(9CI)

CAS No.:
59146-60-0
Catalog Number:
AG00EJT8
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
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Product Description
Catalog Number:
AG00EJT8
Chemical Name:
1H-Pyrrole-3-carbonitrile,2-amino-4-methyl-(9CI)
CAS Number:
59146-60-0
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD00128279
IUPAC Name:
2-amino-4-methyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-4-3-9-6(8)5(4)2-7/h3,9H,8H2,1H3
InChI Key:
QZVGXWVMKIDEID-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)[nH]cc1C
NSC Number:
711127
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties