1-(10H-Phenothiazin-10-yl)-2-(pyrrolidin-1-yl)ethan-1-one
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Basic information
- CAS
63834-19-5- Standard SMILES
O=C(CN1CCCC1)N1c2ccccc2Sc2ccccc21- InChIKey
AHLPZCFSMHPTSO-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.11398438
Names & identifiers
- Preferred name
- 1-(10H-Phenothiazin-10-yl)-2-(pyrrolidin-1-yl)ethan-1-one
- IUPAC
- 1-phenothiazin-10-yl-2-pyrrolidin-1-ylethanone
- English name
- (10H-Phenothiazin-10-yl)(pyrrolizinomethyl) ketone
- Molecular formula
- C18H18N2OS
- Molecular weight
- 310.41
Names & synonyms
63834-19-5DTXSID209804311-(10H-PHENOTHIAZIN-10-YL)-2-(PYRROLIDIN-1-YL)ETHAN-1-ONERefChem:1053778DTXCID80140770810-(Pyrrolidinoacetyl)phenothiazine10-(1-pyrrolidinylacetyl)-10H-phenothiazine(10H-Phenothiazin-10-yl)(pyrrolizinomethyl) ketoneUSAF XR-26BRN 0035524Phenothiazine, 10-(1-pyrrolidinylacetyl)-1-phenothiazin-10-yl-2-pyrrolidin-1-ylethanone
Show more names
Ethanone, 1-(10H-phenothiazin-10-yl)-2-(1-pyrrolidinyl)-
BAS 08233695MLS000051442CHEMBL1478185REGID_for_CID_114337HMS1687J17HMS2298J18STL509349AKOS000408605
Database identifiers
- CAS
63834-19-5- PubChem CID
- 114337
- DTXSID
DTXSID20980431- ChEMBL
CHEMBL1478185- Nikkaji
- J93.138A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 527.7 · 527.7±39.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 7.81 · 7.81±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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