Basic information
- CAS
2001-84-5- Standard SMILES
CCCCCCCCOC(=O)Nc1ccccc1C(=O)NCC[NH+](CC)CC.[Cl-]- InChIKey
AMNNTMQAMRSQRA-UHFFFAOYSA-N- Molecular formula
- C22H38ClN3O3
- Average molar mass
- 428 g/mol
- Monoisotopic mass
- 427.2601698
Names & identifiers
- Preferred name
- Carbanilic acid, o-((2-(diethylamino)ethyl)carbamoyl)-, octyl ester, hydrochloride
- IUPAC
- diethyl-[2-[[2-(octoxycarbonylamino)benzoyl]amino]ethyl]azanium chloride
Names & synonyms
Octyl o-((2-(diethylamino)ethyl)carbamoyl)carbanilate hydrochloride2001-84-5o-((2-(Diethylamino)ethyl)carbamoyl)carbanilic acid octyl ester hydrochlorideCarbamic acid, (2-(((2-(diethylamino)ethyl)amino)carbonyl)phenyl)-, octyl ester, HClCarbanilic acid, o-((2-(diethylamino)ethyl)carbamoyl)-, octyl ester, hydrochlorideRefChem:333077
Database identifiers
- CAS
2001-84-5- PubChem CID
- 16151
Properties
Computed structural properties
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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