Basic information
- CAS
59693-01-5- Standard SMILES
C#CC1(O)CC(C)NC2CCCCC21- InChIKey
CGXPLMNBJQMOOL-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 4-Ethynyl-2-methyl-decahydro-quinolin-4-ol
- IUPAC
- 4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
- English name
- 4-Ethynyl-2-methyl-decahydro-quinolin-4-ol
- Molecular formula
- C12H19NO
- Molecular weight
- 193.29
Names & synonyms
4-Ethynyl-2-methyl-decahydro-quinolin-4-ol59693-01-5DTXSID00345029RefChem:292692DTXCID002961034-Ethynyl-2-methyldecahydroquinolin-4-ol4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol6408AE4-Quinolinol,4-ethynyldecahydro-2-methyl-Oprea1_213294Oprea1_791453DTXSID20902850
Show more names
4-Ethynyl-2-methyldecahydro-4-quinolinol4-Quinolinol, 4-ethynyldecahydro-2-methyl-
CGXPLMNBJQMOOL-UHFFFAOYSA-NCCG-22188AKOS0062766162-methyl-4-ethynyldecahydro-4-quinololST0856814-Ethynyl-2-methyldecahydro-4-quinolinol #Quinolin-4-ol, decahydro-4-ethynyl-2-methyl-2-ethynyl-4-methyl-5-azabicyclo[4.4.0]decan-2-ol
Database identifiers
- CAS
59693-01-5- PubChem CID
- 601253
- DTXSID
DTXSID00345029- EC Number
- 804-122-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 122 · 122-130 °C
- Boiling point
- 136 · 136-137 °C(Press: 4 Torr)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…