N-(3-((4-(Bis(2-chloroethyl)amino)phenyl)thio)propyl)-9-acridinamine
Basic information
- CAS
130031-49-1- Standard SMILES
ClCCN(CCCl)c1ccc(SCCCNc2c3ccccc3nc3ccccc23)cc1- InChIKey
FSJFMSCJJZGVHC-UHFFFAOYSA-N- Molecular formula
- C26H27Cl2N3S
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 483.1302744
Names & identifiers
- Preferred name
- N-(3-((4-(Bis(2-chloroethyl)amino)phenyl)thio)propyl)-9-acridinamine
- IUPAC
- N-[3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpropyl]acridin-9-amine
- English name
- N-(3-((4-(Bis(2-chloroethyl)amino)phenyl)thio)propyl)-9-acridinamine
- Molecular formula
- C26H27Cl2N3S
- Molecular weight
- 484.48
Names & synonyms
130031-49-1N-(3-((4-(Bis(2-chloroethyl)amino)phenyl)thio)propyl)-9-acridinamineN-(3-((4-(Bis(2-chloroethyl)amino)phenyl)thio)propyl)acridin-9-amineN-[3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpropyl]acridin-9-amineCHEMBL1192192DTXSID00156314N-[3-({4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}SULFANYL)PROPYL]ACRIDIN-9-AMINE9-Acridinamine, N-[3-[[4-[bis(2-chloroethyl)amino]phenyl]thio]propyl]-
Database identifiers
- CAS
130031-49-1- PubChem CID
- 148170
- DTXSID
DTXSID00156314- ChEMBL
CHEMBL1192192- Nikkaji
- J351.881G
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 503
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Related reactions
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Compound notes
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