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28466-62-8 | 1H-Pyrazol-4-amine, 1-(phenylmethyl)-
CAS No: 28466-62-8 Catalog No: AG002VD1 MDL No:MFCD01693690
Product Description
Catalog Number:
AG002VD1
Chemical Name:
1H-Pyrazol-4-amine, 1-(phenylmethyl)-
CAS Number:
28466-62-8
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD01693690
IUPAC Name:
1-benzylpyrazol-4-amine
InChI:
InChI=1S/C10H11N3/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,11H2
InChI Key:
HKIIDGKOOZXNQC-UHFFFAOYSA-N
SMILES:
Nc1cnn(c1)Cc1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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