2-(2-Chloroacetamido)pentanoic acid
Basic information
- CAS
34337-03-6- Standard SMILES
CCCC(NC(=O)CCl)C(=O)O- InChIKey
KWMCURFIQFSPEW-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO3
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.0505709
Names & identifiers
- Preferred name
- 2-(2-Chloroacetamido)pentanoic acid
- IUPAC
- 2-[(2-chloroacetyl)amino]pentanoic acid
- English name
- CHLOROAC-DL-NVA-OH
- Molecular formula
- C7H12ClNO3
- Molecular weight
- 193.63
Names & synonyms
6940-47-2Chloroacetyl-dl-norvaline2-(2-chloroacetamido)pentanoic acidCHLOROAC-NVA-OH2-[(2-chloroacetyl)amino]pentanoic acid34337-03-6MFCD00020439N-(chloroacetyl)norvalineChloroacetyl-L-norvalineCHLOROAC-DL-NVA-OHN-Chloroacetyl-L-norvalineN-(Chloroacetyl)-DL-norvaline
Show more names
CLAC-DL-NVA-OHEntecavir Impurity 139(±)-N-(chloroacetyl)norvalineNorvaline, N-(chloroacetyl)- (9CI)
L-Norvaline, N-(chloroacetyl)-EINECS 230-083-0NSC206244Norvaline, N-(chloroacetyl)-SCHEMBL11739510KWMCURFIQFSPEW-UHFFFAOYSA-NDTXSID901309527NSC60133
Database identifiers
- CAS
34337-03-6、6940-47-2- PubChem CID
- 97929
- DTXSID
DTXSID901309527- EC Number
- 105-450-2、230-083-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 403.7 · 403.7±30.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.26 · 3.26±0.10(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
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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