| CAS Number | 55362-76-0 |
| Catalog Number | AG00DHNU(AGN-PC-0SIZPP) |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-2-(4-methoxyphenyl)acetic acid |
| IUPAC Name | 2-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-5-7-10(19-4)8-6-9/h5-8,11H,1-4H3,(H,15,18)(H,16,17) |
| InChI Key | JRUKDUAEXGBAKC-UHFFFAOYSA-N |
| MDL Number | MFCD07388842 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | COC1=CC=C(C(C(O)=O)NC(OC(C)(C)C)=O)C=C1 |
| Synonyms | 55362-76-0,
TERT-BUTOXYCARBONYLAMINO-(4-METHOXY-PHENYL)-ACETIC ACID,
2-(tert-butoxycarbonylamino)-2-(4-methoxyphenyl)acetic acid,
2-((tert-Butoxycarbonyl)amino)-2-(4-methoxyphenyl)acetic acid,
Boc-(R)-2-Amino-2-(4-methoxyphenyl)acetic acid,
Boc-(S)-2-amino-2-(4-methoxyphenyl)acetic acid,
SCHEMBL844432,
[(tert-butoxycarbonyl)amino](4-methoxyphenyl)acetic acid,
DTXSID40585609,
JRUKDUAEXGBAKC-UHFFFAOYSA-N,
156407-78-2,
78306-98-6,
AKOS013465569,
BBV-38240876,
tert-butoxycarbonylamino-(4-methoxyphenyl)acetic acid,
2-Boc-amino-2-(4-methoxyphenyl)acetic acid,
TERT-BUTOXYCARBONYLAMINO- -ACETICACID,
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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 | 281.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.308g/mol |
| Monoisotopic Mass | 281.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number