| CAS Number | 955403-47-1 |
| Catalog Number | AG00IJ72(AGN-PC-0WD4NX) |
| Chemical Name | 2-(1,3-Dimethyl-1H-pyrazol-5-YL)ethanamine |
| IUPAC Name | 2-(2,5-dimethylpyrazol-3-yl)ethanamine |
| InChI | InChI=1S/C7H13N3/c1-6-5-7(3-4-8)10(2)9-6/h5H,3-4,8H2,1-2H3 |
| InChI Key | YAYKEPPKXZPQHX-UHFFFAOYSA-N |
| MDL Number | MFCD08449270 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | CC1=NN(C)C(CCN)=C1 |
| Synonyms | 2-(1,3-DIMETHYL-1H-PYRAZOL-5-YL)ETHANAMINE,
955403-47-1,
1H-Pyrazole-5-ethanamine, 1,3-dimethyl-,
SCHEMBL8234799,
ZINC44397094,
AKOS006288448,
AB45436,
AJ-109698,
Z2352,
F2198-0068,
2-(1,3-DIMETHYL-1H-PYRAZOL-5-YL)ETHAN-1-AMINE,
C7H13N3,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number