| CAS Number | 1093879-63-0 |
| Catalog Number | AG008VAC(AGN-PC-0WB42Q) |
| Chemical Name | N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine |
| IUPAC Name | N-methyl-2-(1-methylpyrazol-4-yl)ethanamine |
| InChI | InChI=1S/C7H13N3/c1-8-4-3-7-5-9-10(2)6-7/h5-6,8H,3-4H2,1-2H3 |
| InChI Key | RZMAEKCTXKHDQA-UHFFFAOYSA-N |
| MDL Number | MFCD16556159 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | N1=CC(=CN1C)CCNC |
| Synonyms | N-Methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine,
1093879-63-0,
RZMAEKCTXKHDQA-UHFFFAOYSA-N,
methyl[2-(1-methylpyrazol-4-yl)ethyl]amine,
methyl[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine,
SCHEMBL3509780,
DTXSID90679567,
ALBB-014219,
MFCD16556159,
ZINC49585021,
AKOS005174356,
MCULE-8294222869,
DA-15664,
AB0157909,
AJ-111245,
FT-0683843,
Y-7704,
I05-2012,
N-Methyl-2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine,
N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine(SALTDATA,
|
| Complexity | 94.9 |
| 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 | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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