Basic information
- CAS
104068-16-8- Standard SMILES
CCCCOc1cc(N)ccc1C(=O)OCCN(C)C- InChIKey
CVNZUXHXTUSZSR-UHFFFAOYSA-N- Molecular formula
- C15H24N2O3
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.17869263
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-butoxy-, 2-(dimethylamino)ethyl ester
- IUPAC
- 2-(dimethylamino)ethyl 4-amino-2-butoxybenzoate
- English name
- S 812
- Molecular formula
- C15H24N2O3
- Molecular weight
- 280.36
Names & synonyms
104068-16-8BENZOIC ACID, 4-AMINO-2-BUTOXY-, 2-(DIMETHYLAMINO)ETHYL ESTERDTXSID20146237RefChem:1079149DTXCID10687282-(Dimethylamino)ethyl 4-amino-2-butoxybenzoateS 812BRN 33240164-Amino-2-n-butoxy-benzoesaeure-dimethylaminoaethylester4-Amino-2-n-butoxy-benzoesaeure-dimethylaminoaethylester [German]SCHEMBL14304169S0812
Show more names
2-(Dimethylamino)ethyl=4-amino-2-butoxybenzoate
Database identifiers
- CAS
104068-16-8- PubChem CID
- 58013
- DTXSID
DTXSID20146237- Nikkaji
- J73.821B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
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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