1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride
Basic information
- CAS
111380-18-8- Standard SMILES
Cc1cnc(NCCCN(C)C)c2c3ccccc3n(C)c12.Cl.Cl- InChIKey
UCVGEGHVEOJABQ-UHFFFAOYSA-N- Molecular formula
- C18H26Cl2N4
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 368.1534522
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride
- IUPAC
- N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
Names & synonyms
1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride111380-18-8SCHEMBL10547427DTXSID701496171-(3-Dimethylaminopropyl)amino-4,5-dimethyl-5H-pyrido(4,3-b)indole dihydrochlorideN~3~-(4,5-Dimethyl-5H-pyrido[4,3-b]indol-1-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
111380-18-8- PubChem CID
- 183274
- DTXSID
DTXSID70149617
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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