2-[Di(propan-2-yl)amino]ethyl 4-aminobenzoate--hydrogen chloride (1/1)
Basic information
- CAS
5988-31-8- Standard SMILES
CC(C)N(CCOC(=O)c1ccc(N)cc1)C(C)C.Cl- InChIKey
NRJLWYXXXDMPGT-UHFFFAOYSA-N- Molecular formula
- C15H25ClN2O2
- Average molar mass
- 300.82 g/mol
- Monoisotopic mass
- 300.1604557
Overview
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Names & identifiers
- Preferred name
- 2-[Di(propan-2-yl)amino]ethyl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-[di(propan-2-yl)amino]ethyl 4-aminobenzoate;hydrochloride
Names & synonyms
DTXSID509752792-[Di(propan-2-yl)amino]ethyl 4-aminobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
5988-31-8- PubChem CID
- 13235366
- DTXSID
DTXSID50975279
Properties
Computed structural properties
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
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Compound notes
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