Basic information
- CAS
77162-70-0- Standard SMILES
O=[N+]([O-])c1cccc2nc3ccccc3c([NH2+]CC[NH+](CCO)CCO)c12.[Cl-].[Cl-]- InChIKey
QJECDSNPLFRXJA-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N4O4
- Average molar mass
- 443.3 g/mol
- Monoisotopic mass
- 442.1174606
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Nitro-9-(2-dihydroxyethylaminoethylamino)acridine
- IUPAC
- bis(2-hydroxyethyl)-[2-[(1-nitroacridin-9-yl)azaniumyl]ethyl]azanium dichloride
Names & synonyms
77162-70-0C-8351-Nitro-9-(2-dihydroxyethylaminoethylamino)acridineEthanol, 2,2'-((2-((1-nitro-9-acridinyl)amino)ethyl)imino)bis-RefChem:9077331-Nitro-9-(2-dihydroxyethylamino-ethylamino)-acridine hydrochlorideC 8352,2'-((2-(8-Nitro-9-acridinylamino)ethyl)imino)diethanol hydrochloridebis(2-hydroxyethyl)-[2-[(1-nitroacridin-9-yl)azaniumyl]ethyl]azanium;dichlorideETHANOL, 2,2'-((2-(8-NITRO-9-ACRIDINYLAMINO)ETHYL)IMIDO)DI-, HYDROCHLORIDE
Database identifiers
- CAS
77162-70-0- PubChem CID
- 53592
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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