Basic information
- CAS
95476-03-2- Standard SMILES
CCCN1CCCc2cc(OC)ccc21- InChIKey
UHQQDHDTKMPNKI-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 6-Methoxy-1-propyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 6-methoxy-1-propyl-3,4-dihydro-2H-quinoline
Names & synonyms
6-methoxy-1-propyl-1,2,3,4-tetrahydroquinolineSCHEMBL10815104UHQQDHDTKMPNKI-UHFFFAOYSA-N6-methoxy-1-propyl-1,2,3,4-tetrahydro-quinoline6-methoxy-1-n-propyl-1,2,3,4-tetrahydroquinoline
Database identifiers
- CAS
95476-03-2- PubChem CID
- 13340650
- EC Number
- 114-234-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Related reactions
3 records
Compound notes
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