PMID27977313-Compound-29
2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)prop-2-en-1-one
Also Known As: Asparaginase|Pegaspargase|L-Asparaginase|ACMC-20mm1c|7-OXANORBORNADIENE|PMID27977313-Compound-29|TP1115|NCI60_003626|2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)prop-2-en-1-one|J1.004.900H|2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)-|2-(dimethylaminomethyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one|1-(2,4-Dimethylphenyl)-2-(dimethylaminomethyl)-2-propene-1-one|2-((Dimethylamino)methyl)-1-(2,4-dimethylphenyl)-2-propen-1-one
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.14667 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.14667 |
| Monoisotopic Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 9015-68-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)C(=C)CN(C)C)C |
| InChIKey | QXLQZLBNPTZMRK-UHFFFAOYSA-N |
Product Overview
PMID27977313-Compound-29 (CAS 9015-68-3), with molecular formula C14H19NO and molecular weight 217.14667 g/mol. IUPAC: 2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)prop-2-en-1-one.
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