| CAS Number | 1398504-35-2 |
| Catalog Number | AG001BQL(AGN-PC-0WCYP2) |
| Chemical Name | n,n-dimethyl-3-(1h-pyrazol-4-yl)prop-2-yn-1-amine |
| IUPAC Name | N,N-dimethyl-3-(1H-pyrazol-4-yl)prop-2-yn-1-amine |
| InChI | InChI=1S/C8H11N3/c1-11(2)5-3-4-8-6-9-10-7-8/h6-7H,5H2,1-2H3,(H,9,10) |
| InChI Key | HCCHEDONCUCUHB-UHFFFAOYSA-N |
| MDL Number | MFCD22574187 |
| Molecular Formula | C8H11N3 |
| Molecular Weight | 149.1930 |
| SMILES | CN(C)CC#CC1=CNN=C1 |
| Synonyms | N,N-DIMETHYL-3-(1H-PYRAZOL-4-YL)PROP-2-YN-1-AMINE,
1398504-35-2,
MFCD22574187,
ZINC91692210,
FCH2294151,
AS-38647,
AX8266982,
X-3946,
2-Propyn-1-amine, N,N-dimethyl-3-(1H-pyrazol-4-yl)-,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.197g/mol |
| Monoisotopic Mass | 149.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.9A^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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