Basic information
- CAS
78306-98-6- Standard SMILES
COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
JRUKDUAEXGBAKC-NSHDSACASA-N- Molecular formula
- C14H19NO5
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.12632271
Names & identifiers
- Preferred name
- (alphaS)-alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methoxybenzeneacetic acid
- IUPAC
- (2S)-2-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
- English name
- Boc-(S)-2-aMino-2-(4-Methoxyphenyl)-acetic acid
- Molecular formula
- C14H19NO5
- Molecular weight
- 281.3
Names & synonyms
78306-98-6(alphaS)-alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methoxybenzeneacetic acid(alphaS)-alpha-(((1,1-Dimethylethoxy)carbonyl)amino)-4-methoxybenzeneacetic acidRefChem:210059Boc-(S)-2-amino-2-(4-methoxyphenyl)acetic acid(s)-2-((Tert-butoxycarbonyl)amino)-2-(4-methoxyphenyl)acetic acidMFCD07371764Boc-Phg(4-OMe)-OHN-Boc-S-4-methoxyphenylglycineSCHEMBL3217896(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(4-METHOXYPHENYL)ACETIC ACIDDTXSID801149863
Show more names
Boc-(S)-2-aMino-2-(4-Methoxyphenyl)-acetic acidBenzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy-, (αS)-
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(4-methoxyphenyl)acetic acidSY520024CS-0343836D87037Boc-(S)-2-amino-2-(4-methoxyphenyl)aceticacidEN300-3372298F738366(S)-2-(Boc-amino)-2-(4-methoxyphenyl)acetic Acid
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 448.3 · 448.3±45.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.66 · 3.66±0.10(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers8 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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