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1152894-90-0 | 1H-Pyrazole-4-methanamine, 1,3,5-trimethyl-N-phenyl-
CAS No: 1152894-90-0 Catalog No: AG000GK5 MDL No:
Product Description
Catalog Number:
AG000GK5
Chemical Name:
1H-Pyrazole-4-methanamine, 1,3,5-trimethyl-N-phenyl-
CAS Number:
1152894-90-0
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
IUPAC Name:
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
InChI:
InChI=1S/C13H17N3/c1-10-13(11(2)16(3)15-10)9-14-12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3
InChI Key:
RLZISTFGIBZFLL-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1CNc1ccccc1)C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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