N-(2-(4-(Bis(2-chloroethyl)amino)phenoxy)ethyl)-9-acridinamine
Basic information
- CAS
130031-45-7- Standard SMILES
ClCCN(CCCl)c1ccc(OCCNc2c3ccccc3nc3ccccc23)cc1- InChIKey
KAOFJHVJVUNBOC-UHFFFAOYSA-N- Molecular formula
- C25H25Cl2N3O
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 453.1374678
Names & identifiers
- Preferred name
- N-(2-(4-(Bis(2-chloroethyl)amino)phenoxy)ethyl)-9-acridinamine
- IUPAC
- N-[2-[4-[bis(2-chloroethyl)amino]phenoxy]ethyl]acridin-9-amine
Names & synonyms
N-(2-(4-(Bis(2-chloroethyl)amino)phenoxy)ethyl)-9-acridinamine130031-45-7CHEMBL1189081DTXSID60156310N-(2-{4-[BIS(2-CHLOROETHYL)AMINO]PHENOXY}ETHYL)ACRIDIN-9-AMINE
Database identifiers
- CAS
130031-45-7- PubChem CID
- 148159
- DTXSID
DTXSID60156310- ChEMBL
CHEMBL1189081- Nikkaji
- J351.873F
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 489
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Compound notes
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