| CAS Number | 905811-02-1 |
| Catalog Number | AG00GVXS(AGN-PC-0WB3SW) |
| Chemical Name | 3-amino-4-chloro-N,N-diethylbenzamide |
| IUPAC Name | 3-amino-4-chloro-N,N-diethylbenzamide |
| InChI | InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)8-5-6-9(12)10(13)7-8/h5-7H,3-4,13H2,1-2H3 |
| InChI Key | UEVFJJAHTBFKAO-UHFFFAOYSA-N |
| MDL Number | MFCD08685814 |
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.7026 |
| SMILES | C(=O)(N(CC)CC)C1=CC=C(C(N)=C1)Cl |
| Synonyms | 3-amino-4-chloro-N,N-diethylbenzamide,
905811-02-1,
SCHEMBL10692221,
CTK5G8141,
DTXSID20586134,
ZINC9304513,
ZX-CM005424,
MFCD08685814,
STK256822,
AKOS000100054,
MCULE-8997737274,
3-Amino-4-chloro-N,N-diethyl-benzamide,
AJ-59510,
BB 0217171,
Y-4051,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.704g/mol |
| Monoisotopic Mass | 226.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number