| CAS Number | 1076197-04-0 |
| Catalog Number | AG00HB0W(AGN-PC-0WD0L4) |
| Chemical Name | (R,S)-Boc-3-amino-2-(naphthalen-2-ylmethyl)-propionicacid |
| IUPAC Name | 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-naphthalen-2-ylpropanoic acid |
| InChI | InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-12-16(17(21)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12H2,1-3H3,(H,20,23)(H,21,22) |
| InChI Key | BFBAJLQTONSFEB-UHFFFAOYSA-N |
| MDL Number | MFCD11226811 |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.3902 |
| SMILES | O=C(O)C(CC1=CC=C2C=CC=CC2=C1)CNC(OC(C)(C)C)=O |
| Synonyms | 1076197-04-0,
(R,S)-Boc-3-amino-2-(naphthalen-2-ylmethyl)-propionic acid,
3-((tert-Butoxycarbonyl)amino)-2-(naphthalen-2-ylmethyl)propanoic acid,
ZX-AV000312,
MFCD11226811,
AKOS025405518,
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| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.396g/mol |
| Monoisotopic Mass | 329.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number