| CAS Number | 169816-40-4 |
| Catalog Number | AG00HZCK |
| Chemical Name | 3-Chloromethyl-N,N-diethylbenzamide |
| IUPAC Name | 3-(chloromethyl)-N,N-diethylbenzamide |
| InChI | InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11-7-5-6-10(8-11)9-13/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | RFRXWUPSZPRUFZ-UHFFFAOYSA-N |
| MDL Number | MFCD11208348 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | CCN(C(=O)c1cccc(c1)CCl)CC |
| Synonyms | 3-Chloromethyl-N,N-diethylbenzamide,
169816-40-4,
3-(chloromethyl)-N,N-diethylbenzamide,
SCHEMBL9142212,
RFRXWUPSZPRUFZ-UHFFFAOYSA-N,
ZINC34431993,
AKOS009334082,
3-(Chloromethyl)-N,N-diethyibenzamide,
3-(chloromethyl)-N,N-diethyl-benzamide,
CID10751691,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number