Basic information
- CAS
76489-34-4- Standard SMILES
C1=Cc2cccc(OC[C@@H]3CNCCO3)c2C1- InChIKey
MADRVGBADLFHMO-LBPRGKRZSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- (2S)-2-(3H-inden-4-yloxymethyl)morpholine
- IUPAC
- (2S)-2-(3H-inden-4-yloxymethyl)morpholine
- English name
- S-(+)-Indeloxazine
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29
Names & synonyms
S-(+)-IndeloxazineIndeloxazine Hydrochloride Impurity 1Morpholine, 2-[(1H-inden-7-yloxy)methyl]-, (S)-Morpholine, 2-[(1H-inden-7-yloxy)methyl]-, (2S)-
Database identifiers
- CAS
76489-34-4- PubChem CID
- 72941597
- Nikkaji
- J239.721H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 401.4 · 401.4±45.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 8.46 · 8.46±0.40(Predicted)
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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