1-Piperazineacetic acid, 4-methyl-, 6-chloro-o-tolyl ester, dihydrochloride
Basic information
- CAS
2173-45-7- Standard SMILES
Cc1cccc(Cl)c1OC(=O)CN1CCN(C)CC1.Cl.Cl- InChIKey
VEEFXQYAEMSKLR-UHFFFAOYSA-N- Molecular formula
- C14H21Cl3N2O2
- Average molar mass
- 355.7 g/mol
- Monoisotopic mass
- 354.066861
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-methyl-, 6-chloro-o-tolyl ester, dihydrochloride
- IUPAC
- (2-chloro-6-methylphenyl) 2-(4-methylpiperazin-1-yl)acetate;dihydrochloride
Names & synonyms
FC 6661-Piperazineacetic acid, 4-methyl-, 6-chloro-o-tolyl ester, dihydrochlorideDTXSID301761212173-45-74-Methyl-1-piperazineacetic acid 6-chloro-o-tolyl ester dihydrochlorideRefChem:233392DTXCID70986122-Chloro-6-methylphenyl (4-methylpiperazin-1-yl)acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
2173-45-7- PubChem CID
- 200503
- DTXSID
DTXSID30176121
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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