| CAS Number | 936940-64-6 |
| Catalog Number | AG00GTRV(AGN-PC-05BI2M) |
| Chemical Name | 1-(1-Phenyl-1H-pyrazol-4-YL)ethanamine |
| IUPAC Name | 1-(1-phenylpyrazol-4-yl)ethanamine |
| InChI | InChI=1S/C11H13N3/c1-9(12)10-7-13-14(8-10)11-5-3-2-4-6-11/h2-9H,12H2,1H3 |
| InChI Key | IOAUCNVBBMEIQG-UHFFFAOYSA-N |
| MDL Number | MFCD05864489 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | N1(C2=CC=CC=C2)C=C(C=N1)C(C)N |
| Synonyms | 1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANAMINE,
936940-64-6,
1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine,
CHEMBRDG-BB 4002410,
AC1Q2B9K,
SCHEMBL14832577,
CTK5H2832,
DTXSID00655498,
IOAUCNVBBMEIQG-UHFFFAOYSA-N,
1-(1-phenylpyrazol-4-yl)ethanamine,
MFCD05864489,
AKOS009313695,
EN300-89164,
Y-1911,
CHEMBRDG-BB4002410,
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| Complexity | 177 |
| 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
Lot Number