| CAS Number | 936940-55-5 |
| Catalog Number | AG00GVNN(AGN-PC-0WB3K2) |
| Chemical Name | 1-[2-(1H-PYRAZOL-1-YL)PHENYL]ETHANAMINE |
| IUPAC Name | 1-(2-pyrazol-1-ylphenyl)ethanamine |
| InChI | InChI=1S/C11H13N3/c1-9(12)10-5-2-3-6-11(10)14-8-4-7-13-14/h2-9H,12H2,1H3 |
| InChI Key | ZMQFFVHJPHXLGZ-UHFFFAOYSA-N |
| MDL Number | MFCD08059949 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | N1(C=CC=N1)C1C=CC=CC=1C(C)N |
| Synonyms | 936940-55-5,
1-[2-(1H-PYRAZOL-1-YL)PHENYL]ETHANAMINE,
1-[2-(1H-pyrazol-1-yl)phenyl]ethan-1-amine,
1-(2-(1H-Pyrazol-1-yl)phenyl)ethanamine,
SCHEMBL15241426,
CTK5H2829,
DTXSID10655702,
CHEMBRDG-BB 4014526,
MFCD08059949,
AKOS000219701,
AKOS022183819,
MCULE-4560582107,
RP24739,
Y-3502,
1-[2-(1H-Pyrazol-1-yl)phenyl]ethanamine, AldrichCPR,
Z1416200831,
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| Complexity | 183 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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