Ethanone, 1-(4-(3-(butylamino)-2-hydroxypropoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
Basic information
- CAS
152271-00-6- Standard SMILES
CCCCNCC(O)COc1ccc(C(C)=O)cc1COCCC.CCCCNCC(O)COc1ccc(C(C)=O)cc1COCCC.O=C(O)/C=C/C(=O)O- InChIKey
RXHAVZKBWXIJFJ-WLHGVMLRSA-N- Molecular formula
- C42H66N2O12
- Average molar mass
- 791 g/mol
- Monoisotopic mass
- 790.46157554
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(3-(butylamino)-2-hydroxypropoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
- IUPAC
- (E)-but-2-enedioic acid;bis(1-[4-[3-(butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone)
- English name
- but-2-enedioic acid, 1-[4-(3-butylamino-2-hydroxy-propoxy)-3-(propoxym ethyl)phenyl]ethanone
- Molecular formula
- C42H66N2O12
- Molecular weight
- 0
Names & synonyms
152271-00-6Ethanone, 1-(4-(3-(butylamino)-2-hydroxypropoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)RefChem:1084530(E)-but-2-enedioic acid;1-[4-[3-(butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanonebut-2-enedioic acid, 1-[4-(3-butylamino-2-hydroxy-propoxy)-3-(propoxym ethyl)phenyl]ethanone
Database identifiers
- CAS
152271-00-6- PubChem CID
- 6448830
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 28
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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