(S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester
Basic information
- CAS
84477-93-0- Standard SMILES
N[C@H](CNC(=O)OCc1ccccc1)c1ccccc1- InChIKey
PRGWXRXVMOOPKN-OAHLLOKOSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- (S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester
- IUPAC
- benzyl N-[(2S)-2-amino-2-phenylethyl]carbamate
- English name
- (2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester
- Molecular formula
- C16H18N2O2
- Molecular weight
- 270.33
Names & synonyms
(S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl esterBENZYL N-[(2S)-2-AMINO-2-PHENYLETHYL]CARBAMATE(S)-Benzyl (2-amino-2-phenylethyl)carbamateBenzyl (S)-(2-amino-2-phenylethyl)carbamateSCHEMBL12879321DTXSID80653972AKOS015919039CS-0446854Benzyl [(2S)-2-amino-2-phenylethyl]carbamatebenzyl N-[(2S)-2-amino-2-phenyl-ethyl]carbamateN-Cbz-2-amino-2-phenylethylaminebenzyl (2-amino-2-phenylethyl)carbamate
Show more names
benzyl N-(2-amino-2-phenylethyl)carbamate(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl esterCarbamic acid, (2-amino-2-phenylethyl)-, phenylmethyl ester (9CI)
Database identifiers
- CAS
84477-93-0- PubChem CID
- 40152004
- DTXSID
DTXSID80653972
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 460.8 · 460.8±45.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.08 · 12.08±0.46(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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