2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
Basic information
- CAS
2014-30-4- Standard SMILES
CC[NH+](CC)C(C)C(=O)Oc1c(C)cccc1Cl.[Cl-]- InChIKey
SFBFQUNOEIVWBN-UHFFFAOYSA-N- Molecular formula
- C14H21Cl2NO2
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 305.0949343
Names & identifiers
- Preferred name
- 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
- IUPAC
- [1-(2-chloro-6-methylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride
Names & synonyms
2014-30-4DTXSID009421782-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)RefChem:1062799DTXCID401370591FC 676L-N,N-Diethylalanine 6-chloro-o-tolyl ester hydrochlorideALANINE, N,N-DIETHYL-, 6-CHLORO-o-TOLYL ESTER, L-, HYDROCHLORIDE
Database identifiers
- CAS
2014-30-4- PubChem CID
- 16208
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…