3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid
Basic information
- CAS
284493-66-9- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1Cl- InChIKey
JBKHFGREKMCWAU-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0924357
Names & identifiers
- Preferred name
- 3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid
- IUPAC
- 3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- 3-Boc-amino-3-(2'-chlorophenyl)propionic acid
- Molecular formula
- C14H18ClNO4
- Molecular weight
- 299.76
Names & synonyms
284493-66-93-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid3-Boc-amino-3-(2'-chlorophenyl)propionic acid3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidMFCD020907093-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid3-tert-Butoxycarbonylamino-3-(2-chloro-phenyl)-propionic acid3-Boc-amino-3-(2'-chlorophenyl)propionicacidBoc-3-amino-3-(2-chlorophenyl)propionic acid3-(Boc-amino)-3-(2-chlorophenyl)propanoic Acid3-{[(tert-butoxy)carbonyl]amino}-3-(2-chlorophenyl)propanoic acidBoc-(S)-3-amino-3-(2-chlorophenyl)propionic acid
Show more names
Boc-DL-3-Amino-3-(2-chloro)propanoic acidBoc-(RS)-3-Amino-3-(2-chlorophenyl)-propionic acid3-Boc-amino-3-(2′-chlorophenyl)propionic acid, CAS 284493-66-9Benzenepropanoic acid, 2-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-Benzenepropanoic acid, 2-chloro-.beta.-[[(1,1-dimethylethoxy)carbonyl]amino]-
Boc-D-b-Phe(2-Cl)-OHSCHEMBL1147244DTXSID803958453-tert-Butoxycarbonylamino-3-(2-AKOS005101255AB15178AB15240SY016562
Database identifiers
- CAS
284493-66-9- PubChem CID
- 3745697
- DTXSID
DTXSID80395845- EC Number
- 675-708-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 446.9 · 446.9±40.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.27 · 4.27±0.10(Predicted)
- Appearance
- White to off-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-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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