Acridine, 9-(3-(N-(2-chloroethyl)-N-ethylamino)propylamino)-4-methoxy-, dihydrochloride
Basic information
- CAS
38915-14-9- Standard SMILES
CC[NH+](CCCl)CCC[NH2+]c1c2ccccc2nc2c(OC)cccc12.[Cl-].[Cl-]- InChIKey
QJTLGQZUYBXIGZ-UHFFFAOYSA-N- Molecular formula
- C21H28Cl3N3O
- Average molar mass
- 444.8 g/mol
- Monoisotopic mass
- 443.129796
Names & identifiers
- Preferred name
- Acridine, 9-(3-(N-(2-chloroethyl)-N-ethylamino)propylamino)-4-methoxy-, dihydrochloride
- IUPAC
- 2-chloroethyl-ethyl-[3-[(4-methoxyacridin-9-yl)azaniumyl]propyl]azanium dichloride
Names & synonyms
ICR 377CCRIS 701938915-14-94-Methoxy-9-(3-(ethyl-2-chloroethyl)aminopropylamino)acridine dihydrochloride9-(3-(Ethyl-2-chloroethyl)aminopropylamino)-4-methoxyacridine dihydrochloride1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochlorideAcridine, 9-(3-(N-(2-chloroethyl)-N-ethylamino)propylamino)-4-methoxy-, dihydrochlorideRefChem:317114DTXSID101023375
Database identifiers
- CAS
38915-14-9- PubChem CID
- 38140
- DTXSID
DTXSID101023375
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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