Basic information
- CAS
963-07-5- Standard SMILES
CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1- InChIKey
VEXNFKCQMGMBBJ-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
- Monoisotopic mass
- 278.19942808
Names & identifiers
- Preferred name
- Amydricaine
- IUPAC
- [1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-yl] benzoate
- English name
- 1,1-bis(dimethylaminomethyl)propyl benzoate
- Molecular formula
- C16H26N2O2
- Molecular weight
- 278.39
Names & synonyms
AmydricaineAlypinBenzopropylDimethylaminostovaine1,1-Bis(dimethylaminomethyl)propyl benzoateAmydrikain [Czech]ALYPINEAmydrikainALIPINABenzoyl-ethyl-tetramethyldiamino-isoproanpolEINECS 213-512-6BRN 3326602
Show more names
Alpinbenzoic acid 1,1-bis(dimethylaminomethyl)propyl ester
UNII-1801659K6K2-Ethyl-1,3-bis(dimethylamino)-2-propanol benzoateAMYDRICAINE [WHO-DD]1801659K6K1,1-Bis-(dimethylaminoethyl)propylester kyseliny benzoove [Czech]1-(Dimethylamino)-2-((dimethylamino)methyl)-2-butanol benzoateDTXSID702421922-09-00-00154 (Beilstein Handbook Reference)
Database identifiers
- CAS
963-07-5- PubChem CID
- 12428
- DTXSID
DTXSID70242192- UNII
- 1801659K6K
- EC Number
- 213-512-6
- Nikkaji
- J21.155I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 421.21 °C · 421.21°C (rough estimate)
- Density
- 1.0029 · 1.0029 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- 8.97 · 8.97±0.28(Predicted)
- FDA UNII
- 1801659 K6K · 1801659K6K
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Apeloa production Co.,Limited+86-19131931000 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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