Basic information
- CAS
35754-95-1- Standard SMILES
C=CCN(CC=C)c1ccc(C(=O)O)cc1- InChIKey
LFOSPEFIHLUGKL-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 4-(Diprop-2-en-1-ylamino)benzoic acid
- IUPAC
- 4-[bis(prop-2-enyl)amino]benzoic acid
Names & synonyms
4-(diprop-2-en-1-ylamino)benzoic acid35754-95-1DTXSID90300546RefChem:288966DTXCID502516814-[bis(prop-2-enyl)amino]benzoic acidNSC137547Benzoic acid,4-(di-2-propen-1-ylamino)-4-diallylamino-benzoic acidSCHEMBL250420AKOS000260080NSC-137547
Show more names
4-[Di(prop-2-en-1-yl)amino]benzoic acidDS-010434F1908-1740
Database identifiers
- CAS
35754-95-1- PubChem CID
- 283189
- DTXSID
DTXSID90300546
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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