Basic information
- CAS
130031-46-8- Standard SMILES
ClCCN(CCCl)c1ccc(OCCCNc2c3ccccc3nc3ccccc23)cc1- InChIKey
ZNWKRDRQLSWIFJ-UHFFFAOYSA-N- Molecular formula
- C26H27Cl2N3O
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 467.1531179
Names & identifiers
- Preferred name
- N-(3-(4-(Bis(2-chloroethyl)amino)phenoxy)propyl)-9-acridinamine
- IUPAC
- N-[3-[4-[bis(2-chloroethyl)amino]phenoxy]propyl]acridin-9-amine
- English name
- N-[3-[4-[bis(2-chloroethyl)amino]phenoxy]propyl]acridin-9-amine
- Molecular formula
- C26H27Cl2N3O
- Molecular weight
- 468.42
Names & synonyms
130031-46-8N-(3-(4-(Bis(2-chloroethyl)amino)phenoxy)propyl)-9-acridinamineN-(3-(4-(Bis(2-chloroethyl)amino)phenoxy)propyl)acridin-9-amineN-[3-[4-[bis(2-chloroethyl)amino]phenoxy]propyl]acridin-9-amineN-(3-{4-[BIS(2-CHLOROETHYL)AMINO]PHENOXY}PROPYL)ACRIDIN-9-AMINECHEMBL1194004DTXSID201563119-Acridinamine, N-[3-[4-[bis(2-chloroethyl)amino]phenoxy]propyl]-
Database identifiers
- CAS
130031-46-8- PubChem CID
- 148161
- DTXSID
DTXSID20156311- ChEMBL
CHEMBL1194004- Nikkaji
- J351.874D
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Boiling point
- 682.8 · 682.8±55.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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