Basic information
- CAS
13618-93-4- Standard SMILES
C1CCN2CCCC2C1- InChIKey
HAJKHJOABGFIGP-UHFFFAOYSA-N- Molecular formula
- C8H15N
- Average molar mass
- 125.21 g/mol
- Monoisotopic mass
- 125.12044948
Names & identifiers
- Preferred name
- Indolizidine
- IUPAC
- 1,2,3,5,6,7,8,8a-octahydroindolizine
- English name
- octahydroindolizine
- Molecular formula
- C8H15N
- Molecular weight
- 125.21
Names & synonyms
OCTAHYDROINDOLIZINEIndolizidine.delta.-ConiceineUNII-4FG58K748F4FG58K748FEINECS 237-103-7DTXSID40929286delta-ConiceineRefChem:148210DELTA-(+-)-CONICEIN(+-)-DELTA-CONICEINE(+-)-OCTAHYDROINDOLIZINE
Show more names
.DELTA.-(+-)-CONICEIN(+-)-.DELTA.-CONICEINEDTXCID701358035OCTAHYDROINDOLIZINE, (+-)-237-103-7HAJKHJOABGFIGP-UHFFFAOYSA-N13618-93-4Indolizine, octahydro-
Database identifiers
- CAS
13618-93-4- PubChem CID
- 26136
- DTXSID
DTXSID40929286- UNII
- 4FG58K748F
- EC Number
- 237-103-7
- Nikkaji
- J14.076G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 222.71 °C · 222.71°C (rough estimate)
- Density
- 0.9074 · 0.9074
- refractive index
- 1.4748 · 1.4748 (estimate)
- pka
- 10.57 · 10.57±0.20(Predicted)
- FDA UNII
- 4 FG58K748F · 4FG58K748F
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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