Basic information
- CAS
1193-42-6- Standard SMILES
NC12CCC(CC1)CC2- InChIKey
VCLQDVVELGHZMQ-UHFFFAOYSA-N- Molecular formula
- C8H15N
- Average molar mass
- 125.21 g/mol
- Monoisotopic mass
- 125.12044948
Names & identifiers
- Preferred name
- 4-Aminobicyclo(2.2.2)octane
- IUPAC
- bicyclo[2.2.2]octan-1-amine
- English name
- 1-Aminobicyclo[2.2.2]octane
- Molecular formula
- C8H15N
- Molecular weight
- 125.21
Names & synonyms
4-aminobicyclo(2.2.2)octane4-aminobicyclo[2.2.2]octaneRefChem:329266Bicyclo[2.2.2]octan-1-amine1193-42-61-Aminobicyclo[2.2.2]octaneMFCD19203674bicyclo[2.2.2]octan-4-amineSCHEMBL480310SCHEMBL480311CHEMBL5281618SCHEMBL19097265
Show more names
1-Amino-bicyclooctan
SCHEMBL22323652DTXSID80338616Bicyclo[2.2.2]oct-1-ylamine #AKOS006341362AKOS006364942SB12136SY291374CS-0054077
Database identifiers
- CAS
1193-42-6- PubChem CID
- 550214
- DTXSID
DTXSID80338616- ChEMBL
CHEMBL5281618- EC Number
- 875-708-3
- Nikkaji
- J100.527H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Boiling point
- 120 · 120-121 °C(Press: 200 Torr)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.99 · 10.99±0.20(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
宁波振岳医药科技有限公司19817745290 · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
江阴瑞生化学有限公司13003356808 · [email protected]
Related reactions
3 records
Compound notes
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