9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride
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Basic information
- CAS
112022-30-7- Standard SMILES
CN(C)CCNC(=O)c1nccc2c1[nH]c1ccccc12.Cl.Cl- InChIKey
HTFKZBWMKTYOFO-UHFFFAOYSA-N- Molecular formula
- C16H20Cl2N4O
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 354.1014167
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride
- IUPAC
- N-[2-(dimethylamino)ethyl]-9H-pyrido[3,4-b]indole-1-carboxamide;dihydrochloride
Names & synonyms
9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride112022-30-7DTXSID50149837N-[2-(Dimethylamino)ethyl]-9H-pyrido[3,4-b]indole-1-carboxamide--hydrogen chloride (1/2)
Database identifiers
- CAS
112022-30-7- PubChem CID
- 183402
- DTXSID
DTXSID50149837
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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