Iem 452
Basic information
- CAS
5561-89-7- Standard SMILES
CC[NH+](CC)CCOC(=O)C(c1ccc(OC)cc1)c1ccc(OC)cc1.[Cl-]- InChIKey
UGGLVRAINGSVBP-UHFFFAOYSA-N- Molecular formula
- C22H30ClNO4
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1863361
Names & identifiers
- Preferred name
- Iem 452
- IUPAC
- 2-[2,2-bis(4-methoxyphenyl)acetyl]oxyethyl-diethylazanium chloride
Names & synonyms
IEM 4525561-89-7RefChem:1087156Bis(p-methoxyphenyl)acetic acid 2-(diethylamino)ethyl ester hydrochlorideACETIC ACID, BIS(p-METHOXYPHENYL)-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
5561-89-7- PubChem CID
- 21724
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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