| CAS Number | 1017788-72-5 |
| Catalog Number | AG008UQF(AGN-PC-093FI0) |
| Chemical Name | 2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)ethanamine |
| IUPAC Name | 2-(4-bromo-2-methylpyrazol-3-yl)ethanamine |
| InChI | InChI=1S/C6H10BrN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2-3,8H2,1H3 |
| InChI Key | YYLDZUQDENGWQN-UHFFFAOYSA-N |
| MDL Number | MFCD08449281 |
| Molecular Formula | C6H10BrN3 |
| Molecular Weight | 204.0677 |
| SMILES | [Br]C1(=C(N(C)N=C1)CCN) |
| Synonyms | 1017788-72-5,
2-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)ETHANAMINE,
5-(Aminoethyl)-4-bromo-1-methyl-1H-pyrazole,
2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)ethan-1-amine,
2-(4-bromo-2-methylpyrazol-3-yl)ethanamine,
MFCD08449281,
DTXSID40679850,
KS-00002A2Q,
5744AH,
ZINC44397106,
AKOS022180134,
PS-3966,
AJ-109700,
C-1902,
2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)ethylamine,
J-000495,
C6H10BrN3,
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)ethanamine, 95% - 1G 1g,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.071g/mol |
| Monoisotopic Mass | 203.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number