| CAS Number | 1403483-88-4 |
| Catalog Number | AG009X4A(AGN-PC-0WAEHZ) |
| Chemical Name | N-Cbz-2-(4-methoxyphenyl)isopropylamine |
| IUPAC Name | benzyl N-[2-(4-methoxyphenyl)propan-2-yl]carbamate |
| InChI | InChI=1S/C18H21NO3/c1-18(2,15-9-11-16(21-3)12-10-15)19-17(20)22-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,19,20) |
| InChI Key | QOEJDJOSGMSNMY-UHFFFAOYSA-N |
| MDL Number | MFCD22549315 |
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.3642 |
| SMILES | COc1ccc(cc1)C(NC(=O)OCc1ccccc1)(C)C |
| Synonyms | 1403483-88-4,
N-CBZ-2-(4-METHOXYPHENYL)ISOPROPYLAMINE,
Benzyl (2-(4-methoxyphenyl)propan-2-yl)carbamate,
KM3806,
ZINC95217945,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.37g/mol |
| Monoisotopic Mass | 299.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number