Basic information
- CAS
524-03-8- Standard SMILES
Cc1cncc2c1CC[C@@H]2C- InChIKey
ZHQQRIUYLMXDPP-ZETCQYMHSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Overview
Actinidine is a member of the class of cyclopentapyridines that is 6,7-dihydrocyclopenta[c]pyridine bearing two methyl substituents at positions 4 and 7. It has a role as a pheromone and a plant metabolite. It is a pyridine alkaloid and a cyclopentapyridine.
Names & identifiers
- Preferred name
- (7S)-6,7-Dihydro-4,7-dimethyl-5H-cyclopenta(c)pyridine
- IUPAC
- (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
- English name
- Actinidine
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
Actinidine524-03-8(-)-Actinidine(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridineVWU976C78YCHEBI:24435H-2-Pyrindine, 6,7-dihydro-4,7-dimethyl-, (S)-(7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta(c)pyridine(7S)-6,7-Dihydro-4,7-dimethyl-5H-cyclopenta(c)pyridine(7S)-6,7-Dihydro-4,7-dimethyl-5H-cyclopenta[c]pyridineRefChem:906288L-(-)-Actinidine
Show more names
Actinidine USP/EP/BP
5H-Cyclopenta[c]pyridine, 6,7-dihydro-4,7-dimethyl-, (7S)-(S)-(-)-actidineActinidinDTXSID70894115UNII-VWU976C78Y(S)-6,7-Dihydro-4,7-dimethyl-5H-2-pyrindineSCHEMBL692365(7S)-4,7-dimethyl-5H,6H,7H-cyclopenta[c]pyridine
Database identifiers
- CAS
524-03-8- PubChem CID
- 68231
- DTXSID
DTXSID70894115- ChEBI
CHEBI:2443- UNII
- VWU976C78Y
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 100 · 100-103 °C(Press: 9 Torr)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 6.54 · 6.54±0.40(Predicted)
- LogP
- 2.635 · 2.635 (est)
- FDA UNII
- 976 C78Y · VWU976C78Y
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H317-H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesL-(-)-Actinidine is a useful research chemical from Nepeta clarkei which exhibits antifungal activity.
Suppliers10 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
武汉鼎程生科化学试剂有限公司81302558 13545255233 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Gihi Chemicals Co., Limited+86-0571-86217390 +86-18058761490 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of cyclopentapyridines that is 6,7-dihydrocyclopenta[c]pyridine bearing two methyl substituents at positions 4 and 7.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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