(S)-(-)-2-(Phenylcarbamoyloxy)propionic acid
Basic information
- CAS
102936-05-0- Standard SMILES
C[C@H](OC(=O)Nc1ccccc1)C(=O)O- InChIKey
HYIHYWQSOXTJFS-ZETCQYMHSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- (S)-(-)-2-(Phenylcarbamoyloxy)propionic acid
- IUPAC
- (2S)-2-(phenylcarbamoyloxy)propanoic acid
- English name
- (S)-(-)-2-(Phenylcarbamoyloxy)propionic acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
102936-05-0(S)-(-)-2-(Phenylcarbamoyloxy)propionic acidDTXSID70352967RefChem:210994DTXCID60304031621-620-3(S)-2-((Phenylcarbamoyl)oxy)propanoic acid(2S)-2-(phenylcarbamoyloxy)propanoic acidMFCD00063138(S)-(-)-2-[(Phenylamino)carbonyloxy]propionic acid(2S)-2-[(PHENYLCARBAMOYL)OXY]PROPANOIC ACID(2S)-2-(N-phenylcarbamoyloxy)propanoic acid
Show more names
(S)-PACOPABROWN'S REAGENTCARBAMALACTIC ACID(S)-(-)-Brown'sReagent(S)-(-)-CARBAMALACTIC ACID(2S)-2-[anilino(oxo)methoxy]propanoate(S)-(-)-2-(PHENYLCARBAMOYLOXY)PROPIONIC ACID 99%(S)-(-)-2-(Phenylcarbamoyloxy)propionic acid,98%
SCHEMBL1032817CHEMBL1087752SBB006724AKOS015913392(s)-2-(phenylcarbamoyloxy)propionic acidAS-75945BP-12913SY010781
Database identifiers
- CAS
102936-05-0- PubChem CID
- 736218
- DTXSID
DTXSID70352967- ChEMBL
CHEMBL1087752- EC Number
- 621-620-3
- Nikkaji
- J330.708E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 150 °C · 150 °C (dec.)(lit.)
- Boiling point
- 348.55 °C · 348.55°C (rough estimate)
- Density
- 1.2944 · 1.2944 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- Store at room temperature
- pka
- 2.85 · 2.85±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- optical activity
- -9.2985 ° · -9.2985°(C=1.0042g/100ml MEOH)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29224985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…