9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(1,3-benzodioxol-5-yl)-, hydrochloride
Basic information
- CAS
3380-75-4- Standard SMILES
Cl.c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)NCC3- InChIKey
NXMSCMHULUTGBV-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O2
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 328.0978555
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(1,3-benzodioxol-5-yl)-, hydrochloride
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
- English name
- 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
- Molecular formula
- C18H16N2O2.ClH
- Molecular weight
- 328.79
Names & synonyms
3380-75-41-(3,4-Methylenedioxyphenyl) tetrahydronorharman hydrochloride9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(1,3-benzodioxol-5-yl)-, hydrochlorideRefChem:3136321-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride1-(Benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochlorideDTXSID20955381AKOS0158486881-(2H-1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-$b-carboline hydrochloride1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
Database identifiers
- CAS
3380-75-4- PubChem CID
- 201171
- DTXSID
DTXSID20955381
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Melting point
- 272 · 272-275 °C
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Compound notes
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