Basic information
- CAS
100311-25-9- Standard SMILES
CCCCNc1ccc(C(=O)OCC(O)CNc2ccccc2)cc1.[Cl-]- InChIKey
DBGHQQOLLYATEI-UHFFFAOYSA-N- Molecular formula
- C20H26ClN2O3-
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1631954
Names & identifiers
- Preferred name
- Benzoic acid, p-(butylamino)-, 2-hydroxy-3-(phenylamino)propyl ester, hydrochloride
- IUPAC
- (3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate chloride
- English name
- 2-Hydroxy-3-(phenylamino)propyl p-(butylamino)benzoate hydrochloride
- Molecular weight
- 0
Names & synonyms
Benzoic acid, p-(butylamino)-, 2-hydroxy-3-(phenylamino)propyl ester, hydrochloride100311-25-9RefChem:10792412-Hydroxy-3-(phenylamino)propyl p-(butylamino)benzoate hydrochloride(3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate;chloride
Database identifiers
- CAS
100311-25-9- PubChem CID
- 57754
Properties
Computed structural properties
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- -1
- Complexity
- 364
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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