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1000895-40-8 | 1H-Pyrazol-3-amine, 5-(2-phenylethyl)-
CAS No: 1000895-40-8 Catalog No: AG0000VZ MDL No:MFCD10689450
Product Description
Catalog Number:
AG0000VZ
Chemical Name:
1H-Pyrazol-3-amine, 5-(2-phenylethyl)-
CAS Number:
1000895-40-8
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD10689450
IUPAC Name:
5-(2-phenylethyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C11H13N3/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)
InChI Key:
XRFRSAFQLGCWFY-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)CCc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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