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892502-09-9 | 3-(1H-PYRAZOL-1-YLMETHYL)ANILINE
CAS No: 892502-09-9 Catalog No: AG0041V6 MDL No:MFCD03422525
Product Description
Catalog Number:
AG0041V6
Chemical Name:
3-(1H-PYRAZOL-1-YLMETHYL)ANILINE
CAS Number:
892502-09-9
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD03422525
IUPAC Name:
3-(pyrazol-1-ylmethyl)aniline
InChI:
InChI=1S/C10H11N3/c11-10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8,11H2
InChI Key:
JGTYTUGTENJXBY-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cccn1
Properties
Complexity:
160
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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