| CAS Number | 5072-27-5 |
| Catalog Number | AG00DMPZ(AGN-PC-0WOILY) |
| Chemical Name | N-Isopropyl 4-(aminomethyl)benzamide |
| IUPAC Name | 4-(aminomethyl)-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H16N2O/c1-8(2)13-11(14)10-5-3-9(7-12)4-6-10/h3-6,8H,7,12H2,1-2H3,(H,13,14) |
| InChI Key | BVDGBUDGPHRCNX-UHFFFAOYSA-N |
| MDL Number | MFCD09049056 |
| Molecular Formula | C11H16N2O |
| Molecular Weight | 192.2575 |
| SMILES | CC(C)NC(=O)c1ccc(cc1)CN |
| Synonyms | N-Isopropyl 4-(aminomethyl)benzamide,
5072-27-5,
4-(AMINOMETHYL)-N-ISOPROPYLBENZAMIDE,
SCHEMBL2643888,
CTK7E4310,
MFCD09049056,
ZINC19722292,
AKOS000132438,
K-9375,
Benzamide, 4-(aminomethyl)-N-(1-methylethyl)-,
4-(Aminomethyl)-N-isopropylbenzamide HCl,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.262g/mol |
| Monoisotopic Mass | 192.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number