Basic information
- CAS
63917-16-8- Standard SMILES
C1CC[NH2+]CC1.O=C([O-])C(O)c1ccc(N(CCCl)CCCl)cc1- InChIKey
HFTCENAFGQQVDK-UHFFFAOYSA-N- Molecular formula
- C17H26Cl2N2O3
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 376.1320481
Names & identifiers
- Preferred name
- Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt
- IUPAC
- 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetate;piperidin-1-ium
Names & synonyms
MANDELIC ACID, 4-(DI-2'-CHLOROETHYLAMINO)-, PIPERIDINE SALT63917-16-8RefChem:10887954-(Di-2'-chloroethylamino)mandelic acid, piperidine salt
Database identifiers
- CAS
63917-16-8- PubChem CID
- 45267
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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