N-(2-Chloroacetyl)-L-tryptophan
Basic information
- CAS
64709-57-5- Standard SMILES
O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
PGTJUXHMJYBSBW-NSHDSACASA-N- Molecular formula
- C13H13ClN2O3
- Average molar mass
- 280.7 g/mol
- Monoisotopic mass
- 280.06147
Overview
RN given refers to (L)-isomer
Names & identifiers
- Preferred name
- N-(2-Chloroacetyl)-L-tryptophan
- IUPAC
- (2S)-2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
- English name
- Chloroacetyl-L-tryptophan
- Molecular formula
- C13H13ClN2O3
- Molecular weight
- 280.71
Names & synonyms
64709-57-5ChloroacetyltryptophanChloroacetyl-L-tryptophanL-Tryptophan, N-(chloroacetyl)-N-(2-Chloroacetyl)-L-tryptophanDTXSID401304334CA-TrpRefChem:825191DTXCID901734352265-029-5N-Chloroacetyl-L-tryptophanChloroac-Trp-OH
Show more names
CLAC-TRP-OHCHLOROAC-TRYPTOPHANN-CHLOROACETYL-L-TRPChloroacetyl-L-Trp-OHL-Tryptophan, N-(2-chloroacetyl)-CHLOROACETYL-L-TRYPTOPHAN USP/EP/BP
(S)-2-(2-Chloroacetamido)-3-(1H-indol-3-yl)propanoic acid(2S)-2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acidMFCD00065977n-(chloroacetyl)-l-tryptophan(2-chloroacetyl)-L-tryptophanEINECS 265-029-5Chloracetyl-L-tryptophanN-(Chloroacetyl)tryptophan #
Database identifiers
- CAS
64709-57-5- PubChem CID
- 101183
- DTXSID
DTXSID401304334- EC Number
- 265-029-5
- Nikkaji
- J208.173C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 610.2 · 610.2±55.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- refractive index
- 24 ° · 24 ° (C=2, MeOH)
- storage temp.
- 20 °C · −20°C
- pka
- 3.22 · 3.22±0.10(Predicted)
- CAS DataBase Reference
- 64709 · 64709-57-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · 3
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Compound notes
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