Basic information
- CAS
13877-99-1- Standard SMILES
CN(C)CCOCCOC(=O)C1(c2ccccc2)CCCC1- InChIKey
XZUULFZXNSIACY-UHFFFAOYSA-N- Molecular formula
- C18H27NO3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.19909372
Names & identifiers
- Preferred name
- Minepentate
- IUPAC
- 2-[2-(dimethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
- English name
- Minepentate
- Molecular formula
- C18H27NO3
- Molecular weight
- 305.41
Names & synonyms
MinepentateMinepentato13877-99-1UCB 1549MinepentatumMinepentatum [INN-Latin]Minepentato [INN-Spanish]Minepentate [INN:BAN]UCB-1549UNII-2ZBF31C62F2ZBF31C62FMINEPENTATE [INN]
Show more names
RS RMA049432-[2-(dimethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate1-Phenylcyclopentanecarboxylic acid 2-[2-(dimethylamino)ethoxy]ethyl ester1-Phenyl-1-cyclopentanecarboxylic acid 2-[2-(dimethylamino)ethoxy]ethyl esterCyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(dimethylamino)ethoxy]ethyl ester
2-(2-(Dimethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate2-(2-Dimethylaminoethoxy)ethanol-1-phenyl-cyclopentylcarboxylateDTXSID80160777Minepentatum (INN-Latin)Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(dimethylamino)ethoxy) ethyl esterMinepentato (INN-Spanish)RefChem:158946DTXCID4083268
Database identifiers
- CAS
13877-99-1- PubChem CID
- 71863
- DTXSID
DTXSID80160777- ChEMBL
CHEMBL2105230- UNII
- 2ZBF31C62F
- Nikkaji
- J8.451D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 446.13 °C · 446.13°C (rough estimate)
- Density
- 1.1037 · 1.1037 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- pka
- 8.76 · 8.76±0.28(Predicted)
- FDA UNII
- 2 ZBF31C62F · 2ZBF31C62F
Chemistry & industry
Suppliers2 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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