| CAS Number | 1227465-68-0 |
| Catalog Number | AG009DWZ(AGN-PC-0WB393) |
| Chemical Name | N-Methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine |
| IUPAC Name | N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine |
| InChI | InChI=1S/C8H15N3/c1-9-5-3-4-8-6-10-11(2)7-8/h6-7,9H,3-5H2,1-2H3 |
| InChI Key | SAGFVAVKFYEIOV-UHFFFAOYSA-N |
| MDL Number | MFCD16556105 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CNCCCC1=CN(C)N=C1 |
| Synonyms | 1227465-68-0,
N-Methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine,
methyl[3-(1-methyl-1H-pyrazol-4-yl)propyl]amine,
methyl[3-(1-methylpyrazol-4-yl)propyl]amine,
DTXSID30679748,
ALBB-014220,
2552AD,
MFCD16556105,
ZINC49584771,
AKOS005174362,
MCULE-2580401967,
AB0158231,
AJ-111147,
FT-0684239,
Y-7657,
I05-2013,
F2147-6874,
N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1-propanamine,
N-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine(SALTDATA,
C8H15N3,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.229g/mol |
| Monoisotopic Mass | 153.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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