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Home Nitriles 2-Amino-1-benzyl-1H-pyrrole-3-carbonitrile

2-Amino-1-benzyl-1H-pyrrole-3-carbonitrile

CAS No.:
753478-33-0
Catalog Number:
AG005C6Y
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
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Product Description
Catalog Number:
AG005C6Y
Chemical Name:
2-Amino-1-benzyl-1H-pyrrole-3-carbonitrile
CAS Number:
753478-33-0
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD06738469
IUPAC Name:
2-amino-1-benzylpyrrole-3-carbonitrile
InChI:
InChI=1S/C12H11N3/c13-8-11-6-7-15(12(11)14)9-10-4-2-1-3-5-10/h1-7H,9,14H2
InChI Key:
ZUAGKLCYHYSPSK-UHFFFAOYSA-N
SMILES:
N#Cc1ccn(c1N)Cc1ccccc1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Facile synthesis of 1-substituted 2-amino-3-cyanopyrroles: new synthetic precursors for 5,6-unsubstituted pyrrolo[2,3-d]pyrimidines. Organic letters 20040819
Properties