Basic information
- CAS
21188-76-1- Standard SMILES
CCN(CC)CC.Nc1ccccc1C(=O)O- InChIKey
ZCFXODLPYOEZEG-UHFFFAOYSA-N- Molecular formula
- C13H22N2O2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.16812795
Names & identifiers
- Preferred name
- 2-aminobenzoic acid;N,N-diethylethanamine
- IUPAC
- 2-aminobenzoic acid;N,N-diethylethanamine
Names & synonyms
21188-76-1SCHEMBL4882886DTXSID507400602-Aminobenzoic acid--N,N-diethylethanamine (1/1)
Database identifiers
- CAS
21188-76-1- PubChem CID
- 69228024
- DTXSID
DTXSID50740060
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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