Basic information
- CAS
73671-86-0- Standard SMILES
CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CCC4(C)C3CCC21C- InChIKey
GNWBLLYJQXKPIP-ZBMGENLXSA-N- Molecular formula
- C24H40N2O2
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.30897852
Names & identifiers
- Preferred name
- N,N-Diethyl-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
- IUPAC
- (1S,5aR)-N,N-diethyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
- English name
- 17-N,N-diethylcarbamoyl-4-methyl-4-azaandrostane-3-one
- Molecular formula
- C24H40N2O2
- Molecular weight
- 388.59
Names & synonyms
DTXSID80994493N,N-Diethyl-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide(7S,11aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide4MA4-MA17-N,N-diethylcarbamoyl-4-methyl-4-azaandrostane-3-oneN,N-Diethyl-4-methyl-3-oxo-4-aza-5α-androstane-17β-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid diethylamide
Database identifiers
- CAS
73671-86-0- PubChem CID
- 52099
- DTXSID
DTXSID80994493
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 514.26 °C · 514.26°C (rough estimate)
- Density
- 1.0369 · 1.0369 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- -0.52 · -0.520±0.60(predicted)
Chemistry & industry
Applications
UsesDMAA is an indirect sympathomimetic amine. DMAA constricts blood vessels and raises blood pressure. DMAA can be used for neurological and cardiovascular disease research[1][2].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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