N-Boc-3,3-diphenyl-L-alanine Benzyl ester
Basic information
- CAS
915750-93-5- Standard SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1- InChIKey
XFISHIKNOUFXJK-DEOSSOPVSA-N- Molecular formula
- C27H29NO4
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.20965841
Names & identifiers
- Preferred name
- N-Boc-3,3-diphenyl-L-alanine Benzyl ester
- IUPAC
- benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoate
- English name
- N-Boc-3,3-diphenyl-L-alanine benzyl ester
- Molecular formula
- C27H29NO4
- Molecular weight
- 431.52346
Names & synonyms
N-Boc-3,3-diphenyl-L-alanine Benzyl ester915750-93-5MFCD30749402Benzyl (S)-2-((tert-butoxycarbonyl)amino)-3,3-diphenylpropanoateC27H29NO4N-Boc-3,3-diphenyl-L-alanineBenzylesterCS-0457927F80869F777774benzyl (2S)-2-(tert-butoxycarbonylamino)-3,3-diphenyl-propanoatebenzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoatebenzyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3,3-diphenylpropanoate
Show more names
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-phenyl-, phenylmethyl ester
Database identifiers
- CAS
915750-93-5- PubChem CID
- 137346673
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 580.8 · 580.8±50.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 10.8 · 10.80±0.46(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
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Compound notes
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