N-(4-(4-(Bis(2-chloroethyl)amino)phenyl)butyl)-9-acridinamine
Basic information
- CAS
130031-43-5- Standard SMILES
ClCCN(CCCl)c1ccc(CCCCNc2c3ccccc3nc3ccccc23)cc1- InChIKey
RGHBKXNQJGGALZ-UHFFFAOYSA-N- Molecular formula
- C27H29Cl2N3
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 465.1738533
Names & identifiers
- Preferred name
- N-(4-(4-(Bis(2-chloroethyl)amino)phenyl)butyl)-9-acridinamine
- IUPAC
- N-[4-[4-[bis(2-chloroethyl)amino]phenyl]butyl]acridin-9-amine
Names & synonyms
130031-43-5N-(4-(4-(Bis(2-chloroethyl)amino)phenyl)butyl)-9-acridinamineN-[4-[4-[bis(2-chloroethyl)amino]phenyl]butyl]acridin-9-amineN-(4-(4-(Bis(2-chloroethyl)amino)phenyl)butyl)acridin-9-amineN-(4-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}BUTYL)ACRIDIN-9-AMINECHEMBL1195938SCHEMBL17423207DTXSID90156308
Database identifiers
- CAS
130031-43-5- PubChem CID
- 148157
- DTXSID
DTXSID90156308- ChEMBL
CHEMBL1195938- Nikkaji
- J351.877I
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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