2-(4-Biphenylyl)-2-(Boc-amino)acetic Acid
Basic information
- CAS
946598-40-9- Standard SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(-c2ccccc2)cc1- InChIKey
IGQRMCQSKDTFDV-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- 2-(4-Biphenylyl)-2-(Boc-amino)acetic Acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetic acid
- English name
- 2-Fluoro-4-morpholinobenzoic acid
- Molecular formula
- C11H12FNO3
- Molecular weight
- 225.22
Names & synonyms
369403-44-12-(4-Biphenylyl)-2-(Boc-amino)acetic Acid2-([1,1'-Biphenyl]-4-yl)-2-((tert-butoxycarbonyl)amino)acetic acidMFCD026831672-{[(tert-butoxy)carbonyl]amino}-2-(4-phenylphenyl)acetic acida-(Boc-amino)-biphenyl-4-acetic acid2-{[1,1'-biphenyl]-4-yl}-2-{[(tert-butoxy)carbonyl]amino}acetic acidSCHEMBL3759870DTXSID40596139IGQRMCQSKDTFDV-UHFFFAOYSA-N196707-31-0UPA40344
Show more names
2-Fluoro-4-morpholinobenzoic acid2-fluoro-4-morpholin-4-ylbenzoic acid2-fluoro-4-(4-morpholinyl)Benzoic acidBenzoic acid, 2-fluoro-4-(4-morpholinyl)-
AC6017AKOS022184122AB33250AB33253AS-89355SY016273DB-364020CS-0214880
Database identifiers
- CAS
946598-40-9- PubChem CID
- 18770129
- DTXSID
DTXSID40596139
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C11H12FNO3/c12-10-7-8(1-2-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
- InChIKey
- NEWHCWSPQLPAIR-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(N2CCOCC2)C=C1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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