Chloroacetyl-L-valine
Basic information
- CAS
2279-16-5- Standard SMILES
CC(C)[C@H](NC(=O)CCl)C(=O)O- InChIKey
LJRISAYPKJORFZ-LURJTMIESA-N- Molecular formula
- C7H12ClNO3
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.0505709
Names & identifiers
- Preferred name
- Chloroacetyl-L-valine
- IUPAC
- (2S)-2-[(2-chloroacetyl)amino]-3-methylbutanoic acid
- English name
- Chloroacetyl-L-valine
- Molecular formula
- C7H12ClNO3
- Molecular weight
- 193.63
Names & synonyms
Chloroacetyl-L-valineRefChem:575776N-(2-Chloroacetyl)-L-valine623-225-1N-Chloroacetyl-l-valine2279-16-5(S)-2-(2-Chloroacetamido)-3-methylbutanoic acid(2S)-2-[(2-chloroacetyl)amino]-3-methylbutanoic acidMFCD00045273N-(Chloroacetyl)valine #N-(chloroacetyl)-L-valine(2-Chloroacetyl)-L-valine
Show more names
CLAC-VAL-OHCHLOROAC-VAL-OHChloroacetyl-L-Val-OH-2-(2-Chloroacetamido)N-A-CHLOROACETYL-L-VALINEIndigo Carmine Impurity 1N-Chloroacetyl-L-valine >
SCHEMBL3497152LJRISAYPKJORFZ-LURJTMIESA-NValine, N-(chloroacetyl)-, DL-STL191448AKOS022902427HY-W142130BS-44074SY106834
Database identifiers
- CAS
2279-16-5- PubChem CID
- 737074
- EC Number
- 623-225-1
- Nikkaji
- J208.174A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 394.4 · 394.4±27.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- powder to crystal
- pka
- 3.2 · 3.20±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 2279 · 2279-16-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-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.
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 40 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
- 2922.49.8000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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