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28466-72-0 | 1H-Pyrazol-4-amine, N-ethyl-1-(phenylmethyl)-
CAS No: 28466-72-0 Catalog No: AG002VED MDL No:
Product Description
Catalog Number:
AG002VED
Chemical Name:
1H-Pyrazol-4-amine, N-ethyl-1-(phenylmethyl)-
CAS Number:
28466-72-0
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
IUPAC Name:
1-benzyl-N-ethylpyrazol-4-amine
InChI:
InChI=1S/C12H15N3/c1-2-13-12-8-14-15(10-12)9-11-6-4-3-5-7-11/h3-8,10,13H,2,9H2,1H3
InChI Key:
HBLPMHWSVITEOG-UHFFFAOYSA-N
SMILES:
CCNc1cnn(c1)Cc1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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