2-[(Diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate
Basic information
- CAS
13347-41-6- Standard SMILES
CC(C)N(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C- InChIKey
SKMKGLSIZVBHQB-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Names & identifiers
- Preferred name
- 2-[(Diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate
- IUPAC
- 2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate
- English name
- 2-[(diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate
- Molecular formula
- C22H27NO3
- Molecular weight
- 353.45
Names & synonyms
13347-41-62-[(DIISOPROPYL)AMINO]ETHYL 9H-XANTHENE-9-CARBOXYLATE2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate2-(Diisopropylamino)ethanol Xanthene-9-carboxylate2-((Diisopropyl)amino)ethyl 9H-xanthene-9-carboxylateEINECS 236-394-8SCHEMBL27370526DTXSID709281262-di-isopropylaminoethylxanthen-9-carboxylateNS000510982-(Diisopropylamino)ethyl 9H-xanthene-9-carboxylate #Xanthene-9-carboxylic acid, 2-diisopropylaminoethyl ester
Show more names
9H-Xanthene-9-carboxylic acid 2-[bis(1-methylethyl)amino]ethyl ester
9H-Xanthene-9-carboxylic acid, 2-diisopropylaminoethyl ester9H-Xanthene-9-carboxylic acid, 2-[bis(1-methylethyl)amino]ethyl ester2-(Diisopropylamino)ethanol Xanthene-9-carboxylate; 9H-Xanthene-9-carboxylic acid, 2-[bis(1-methylethyl)amino]ethyl ester (9CI, ACI); Ethanol, 2-(diisopropylamino)-, xanthene-9-carboxylate (ester) (8CI); Xanthene-9-carboxylic acid, 2-(diisopropylamino)ethyl ester (6CI, 7CI, 8CI); 2-[(Diisopropyl)amino]ethy
Database identifiers
- CAS
13347-41-6- PubChem CID
- 83364
- DTXSID
DTXSID70928126- EC Number
- 236-394-8
- Nikkaji
- J213.859J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Chemistry & industry
Applications
Uses2-(Diisopropylamino)ethanol Xanthene-9-carboxylate is used in the preparation of deuterium-labelled propantheline bromide as well as potential antispasmodic agents.
Upstream & downstream products
Upstream raw materials
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