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131311-66-5 | 1H-Pyrazole-4,5-diamine, 1-(phenylmethyl)-
CAS No: 131311-66-5 Catalog No: AG000VX1 MDL No:
Product Description
Catalog Number:
AG000VX1
Chemical Name:
1H-Pyrazole-4,5-diamine, 1-(phenylmethyl)-
CAS Number:
131311-66-5
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
IUPAC Name:
2-benzylpyrazole-3,4-diamine
InChI:
InChI=1S/C10H12N4/c11-9-6-13-14(10(9)12)7-8-4-2-1-3-5-8/h1-6H,7,11-12H2
InChI Key:
URPJUMVYJFHGOR-UHFFFAOYSA-N
SMILES:
Nc1cnn(c1N)Cc1ccccc1
Properties
Complexity:
179
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.234g/mol
Monoisotopic Mass:
188.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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