| CAS Number | 915924-91-3 |
| Catalog Number | AG006SVM(AGN-PC-0WB3M0) |
| Chemical Name | 3-[1-(Dimethylamino)ethyl]benzaldehyde |
| IUPAC Name | 3-[1-(dimethylamino)ethyl]benzaldehyde |
| InChI | InChI=1S/C11H15NO/c1-9(12(2)3)11-6-4-5-10(7-11)8-13/h4-9H,1-3H3 |
| InChI Key | VVBTYDOIRBJCJZ-UHFFFAOYSA-N |
| MDL Number | MFCD08059975 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | C1(C=CC=C(C=1)C=O)C(C)N(C)C |
| Synonyms | 3-[1-(DIMETHYLAMINO)ETHYL]BENZALDEHYDE,
915924-91-3,
3-(1-(Dimethylamino)ethyl)benzaldehyde,
SCHEMBL14036536,
CTK5H0167,
DTXSID70672415,
CHEMBRDG-BB 4015546,
ZX-CM004537,
5272AH,
FCH836056,
MFCD08059975,
AKOS006282539,
Y-3525,
4015546-25G,
4015546-50G,
C11H15NO,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number