6-methoxy-1-(naphthalen-1-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
Basic information
- CAS
529476-44-6- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3c1cccc2ccccc12- InChIKey
UWFHJKFBKWBVPK-UHFFFAOYSA-N- Molecular formula
- C22H20N2O
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.15756327
Names & identifiers
- Preferred name
- 6-methoxy-1-(naphthalen-1-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
- IUPAC
- 6-methoxy-1-naphthalen-1-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
529476-44-66-methoxy-1-(naphthalen-1-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole6-methoxy-1-(naphthalen-1-yl)-1H,2H,3H,4H,9H-pyrido(3,4-b)indoleRefChem:543558977-941-76-methoxy-1-naphthalen-1-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleEWA47644EN300-6743746Z3491627835
Database identifiers
- CAS
529476-44-6- PubChem CID
- 5217367
- EC Number
- 977-941-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
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Compound notes
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