N-[(1-Methyl-1H-pyrazol-5-yl)methyl]aniline - CAS 1006352-98-2
Catalog: |
BB046397 |
Product Name: |
N-[(1-Methyl-1H-pyrazol-5-yl)methyl]aniline |
CAS: |
1006352-98-2 |
Synonyms: |
N-((1-Methyl-1H-pyrazol-5-yl)methyl)aniline; [(1-methylpyrazol-5-yl)methyl]phenylamine |
IUPAC Name: | N-[(2-methylpyrazol-3-yl)methyl]aniline |
Description: | N-[(1-Methyl-1H-pyrazol-5-yl)methyl]aniline (CAS# 1006352-98-2 ) is a useful research chemical. |
Molecular Weight: | 187.24 |
Molecular Formula: | C11H13N3 |
Canonical SMILES: | CN1C(=CC=N1)CNC2=CC=CC=C2 |
InChI: | InChI=1S/C11H13N3/c1-14-11(7-8-13-14)9-12-10-5-3-2-4-6-10/h2-8,12H,9H2,1H3 |
InChI Key: | APRSRPUPPLWYJQ-UHFFFAOYSA-N |
Boiling Point: | 339.5±17.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.110947427 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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