Basic information
- CAS
1658-08-8- Standard SMILES
c1c2c(nc3c1CCCC3)CCCC2- InChIKey
LLCXJIQXTXEQID-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2,3,4,5,6,7,8-Octahydroacridine
- IUPAC
- 1,2,3,4,5,6,7,8-octahydroacridine
- English name
- 1,2,3,4,5,6,7,8-Octahydroacridine
- Molecular formula
- C13H17N
- Molecular weight
- 187.28
Names & synonyms
1,2,3,4,5,6,7,8-Octahydroacridine1658-08-8OctahydroacridineDTXSID00862726RefChem:71243DTXCID40811450216-758-2Acridine, 1,2,3,4,5,6,7,8-octahydro-MFCD000050321,2,3,4,5,6,7,8OctahydroacridineOprea1_739795SCHEMBL529327
Show more names
sym-Octahydroacridine1,2,3,4,5,6,7-octahydroacridine1,2,3,4,5,6,7,8-Octahydroacridine>1,2,3,4,5,6,7,8-OCTAHYDROACRIDINE 96+%1,2,3,4,5,6,7,8-Octahydroacridine - [X94117](4bS,9bS)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene
AS-626811,2,3,4,5,6,7,8-Octahydro-acridineT71895EINECS 216-758-2HMS1665O05AKOS022181305SY053654CS-0206163
Database identifiers
- CAS
1658-08-8- PubChem CID
- 74263
- DTXSID
DTXSID00862726- EC Number
- 216-758-2
- Nikkaji
- J150.126G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Chemical ClassesDyes -> Acridine Dyes
Physical DescriptionBeige crystalline solid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 191 · 191-192 °C(Press: 22 Torr)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.37 · 7.37±0.20(Predicted)
- color
- Off-White to Pale Yellow
- CAS DataBase Reference
- 1658 · 1658-08-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers31 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
石家庄手性化学有限公司031185291771 13832391721 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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