Basic information
- CAS
3380-78-7- Standard SMILES
Cl.O=[N+]([O-])c1cc(C2NCCc3c2[nH]c2ccccc32)ccc1Cl- InChIKey
DVYFFPFMNKCWMW-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2N3O2
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.0541321
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(4-chloro-3-nitrophenyl)-, hydrochloride
- IUPAC
- 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
- English name
- 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
- Molecular formula
- C17H15Cl2N3O2
- Molecular weight
- 364.23
Names & synonyms
3380-78-71-(4-Chloro-3-nitrophenyl)tetrahydronorharman hydrochloride9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(4-chloro-3-nitrophenyl)-, hydrochlorideRefChem:3136331-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochlorideDTXSID40955383AKOS0158458001-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indolehydrochloride1-(4-Chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
3380-78-7- PubChem CID
- 201175
- DTXSID
DTXSID40955383
Properties
Computed structural properties
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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