Basic information
- CAS
17692-45-4- Standard SMILES
CCCNC(C)(C)C(=O)Nc1ccccc1C- InChIKey
PTTCXIMECHPBJX-UHFFFAOYSA-N- Molecular formula
- C14H22N2O
- Average molar mass
- 234.34 g/mol
- Monoisotopic mass
- 234.17321333
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Quatacaine
- IUPAC
- 2-methyl-N-(2-methylphenyl)-2-(propylamino)propanamide
- English name
- Quatacaine
- Molecular formula
- C14H22N2O
- Molecular weight
- 234.341
Names & synonyms
Quatacaine17692-45-4QuatacainaLA-012 Free baseQuatacainum49BR7256ZYDTXSID20170219RefChem:178049DTXCID80927102-methyl-2-propylamino-o-propionotoluidineQuatacaine [INN]2-methyl-N-(2-methylphenyl)-2-(propylamino)propanamide
Show more names
LA012 [as hydrochloride]LA 012 [as hydrochlorideLA-012 [as hydrochloride]2-Methyl-2-(propylamino)-N-(o-tolyl)propanamidePropanamide, 2-methyl-N-(2-methylphenyl)-2-(propylamino)-
2-Methyl-2-(propylamino)-o-propionotoluidideQuatacainQuatacainum [Latin]Quatacaina [Spanish]UNII-49BR7256ZY2-Methyl-2-propylaminopropiono-o-toluideo-Propionotoluidide, 2-methyl-2-(propylamino)-QUATACAINE [WHO-DD]
Database identifiers
- CAS
17692-45-4- PubChem CID
- 65685
- DTXSID
DTXSID20170219- ChEMBL
CHEMBL2105272
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- FDA UNII
- 49 BR7256ZY · 49BR7256ZY
Chemistry & industry
Applications
Usesas hydrochloride.
Suppliers5 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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