Basic information
- CAS
400863-69-6- Standard SMILES
CCN(CC)C(=O)c1sc2nc3c(cc2c1N)CCCC3- InChIKey
RNPUCQGUDAJVNK-UHFFFAOYSA-N- Molecular formula
- C16H21N3OS
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.14053348
Names & identifiers
- Preferred name
- 3-Amino-N,N-diethyl-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
- IUPAC
- 3-amino-N,N-diethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Names & synonyms
3-amino-N,N-diethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide400863-69-63-Amino-N,N-diethyl-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamideRefChem:497536648-667-2Oprea1_185862AKOS000574776CCG-111593EU-0044454ST50730592AB00114681-01SR-01000488905
Show more names
SR-01000488905-1(3-amino(5,6,7,8-tetrahydrothiopheno[2,3-b]quinolin-2-yl))-N,N-diethylcarboxam ide
Database identifiers
- CAS
400863-69-6- PubChem CID
- 780948
- EC Number
- 648-667-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…