8-Methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Basic information
- CAS
126912-70-7- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CNCC3- InChIKey
HWQBIEUTTWNYFT-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 8-Methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 8-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- English name
- 2,3,4,5-TETRAHYDRO-8-METHOXY-1H-PYRIDO[4,3-B]INDOLE
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
126912-70-78-Methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole8-Methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]-indoleMFCD056635311H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-8-methoxy-1H-PYRIDO[4,3-B]INDOLE, 2,3,4,5-TETRAHYDRO-8-METHOXY-8-methoxy-1,2,3,4-tetrahydropyridino[4,3-b]indole8-methoxy-1H,2H,3H,4H,5H-pyrido[4,3-b]indoleMLS001208380SCHEMBL968283CHEMBL2137093DTXSID20329881
Show more names
AKOS JY2082767CHEMBRDG-BB 4002723TIMTEC-BB SBB0044132,3,4,5-TETRAHYDRO-8-METHOXY-1H-PYRIDO[4,3-B]INDOLEmethyl 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-yl ether8-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole(SALTDATA: 0.2H2O)
HWQBIEUTTWNYFT-UHFFFAOYSA-NALBB-007673BBL030366SBB004413STK500457AKOS000303287AB21869FS-6077
Database identifiers
- CAS
126912-70-7- PubChem CID
- 424701
- DTXSID
DTXSID20329881- ChEMBL
CHEMBL2137093
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C12H14N2O/c1-15-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,13-14H,4-5,7H2,1H3
- InChIKey
- HWQBIEUTTWNYFT-UHFFFAOYSA-N
- SMILES
- COc1ccc2[nH]c3CCNCc3c2c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Related reactions
1 records
Compound notes
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