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141392-71-4 | Guanidine, N-cyano-N'-[(4-methylphenyl)methyl]-
CAS No: 141392-71-4 Catalog No: AG001GCK MDL No:
Product Description
Catalog Number:
AG001GCK
Chemical Name:
Guanidine, N-cyano-N'-[(4-methylphenyl)methyl]-
CAS Number:
141392-71-4
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
IUPAC Name:
1-cyano-2-[(4-methylphenyl)methyl]guanidine
InChI:
InChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)6-13-10(12)14-7-11/h2-5H,6H2,1H3,(H3,12,13,14)
InChI Key:
RYQNNNBUBHWWGW-UHFFFAOYSA-N
SMILES:
N#CNC(=N)NCc1ccc(cc1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.234g/mol
Monoisotopic Mass:
188.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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