N,N-Diethyl-3-((1-nitroacridin-9(10H)-ylidene)amino)propan-1-amine--hydrogen chloride (1/2)

HCID 28246

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Basic information

CAS: 17074-44-1
Standard SMILES: CC[NH+](CC)CCC[NH2+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12.[Cl-].[Cl-]
InChIKey: TWMCCOOIJOTZPN-UHFFFAOYSA-N
Molecular formula: C20H26Cl2N4O2
Average molar mass: 425.3 g/mol
Monoisotopic mass: 424.1432815

Names & identifiers

Preferred name: N,N-Diethyl-3-((1-nitroacridin-9(10H)-ylidene)amino)propan-1-amine--hydrogen chloride (1/2)
IUPAC: diethyl-[3-[(1-nitroacridin-9-yl)azaniumyl]propyl]azanium dichloride

Names & synonyms

17074-44-1DTXSID90937831N,N-Diethyl-3-((1-nitroacridin-9(10H)-ylidene)amino)propan-1-amine--hydrogen chloride (1/2)RefChem:1090450DTXCID301366383ACRIDINE, 9-((3-(DIETHYLAMINO)PROPYL)AMINO)-1-NITRO-, DIHYDROCHLORIDEC 410 (Immunosuppressant)1-Nitro-9-(diethylaminopropylamine)-acridine dihydrochloride1-Nitro-9-(diethylaminopropylamino)-acridine-2 hydrochloride1,3-Propanediamine, N,N-diethyl-N'-(1-nitro-9-acridinyl)-, dihydrochloridediethyl-[3-[(1-nitroacridin-9-yl)azaniumyl]propyl]azanium;dichloride

Database identifiers

CAS: 17074-44-1
PubChem CID: 28246

Properties

Computed structural properties

Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 452

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