Basic information
- CAS
16478-59-4- Standard SMILES
C[N+]1(C)CCOC(O)(c2ccc(-c3ccc(C4(O)C[N+](C)(C)CCO4)cc3)cc2)C1- InChIKey
JIWUESGGKYLPPG-UHFFFAOYSA-N- Molecular formula
- C24H34N2O4+2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.25185757
Overview
2-[4-[4-(2-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl)phenyl]phenyl]-4,4-dimethyl-2-morpholin-4-iumol is a member of morpholines.
Names & identifiers
- Preferred name
- Hemicholinium-3
- IUPAC
- 2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol
- English name
- Hemicholinium
- Molecular formula
- [C24H34N2O4]2+.
- Molecular weight
- 0
Names & synonyms
2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol2-(4-(4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl)phenyl)-4,4-dimethylmorpholin-4-ium-2-olRefChem:1086393Hemicholinium-3Hemicholinium16478-59-4HemicholineZK7JX4771PMorpholinium, 2,2'-(1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-UNII-ZK7JX4771P2,2'-(4,4'-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium)
Show more names
Hemicholinium-3 (HC-3)2-Hydroxy-4,4-dimethyl-2-phenylmorpholin-4-ium
2,2'-(Biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholinium)Prestwick0_000393Prestwick1_000393Prestwick2_000393Prestwick3_000393HEMICHOLINIUM [MI]Lopac0_000578BSPBio_000605
Database identifiers
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 2
- Complexity
- 544
Physicochemical properties
- FDA UNII
- 7 JX4771P · ZK7JX4771P
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Additional notes
DefinitionChEBI: 2-[4-[4-(2-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl)phenyl]phenyl]-4,4-dimethyl-2-morpholin-4-iumol is a member of morpholines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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