Basic information
- CAS
13015-79-7- Standard SMILES
CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12- InChIKey
OIFINQAUHKZSBV-UHFFFAOYSA-N- Molecular formula
- C21H25Cl2N3O
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 405.1374678
Overview
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine is a member of acridines.
Names & identifiers
- Preferred name
- Acridine mustard free base
- IUPAC
- N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine
Names & synonyms
Acridine mustard free baseICR-170 free baseUNII-568MU7Q5YZ568MU7Q5YZ13015-79-71,3-Propanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamineCHEBI:37594CHEMBL3416994SCHEMBL20305454DTXSID50156369N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine
Show more names
Q271171996-chloro-9-[3-([2-chloroethyl]ethylamino)propylamino]-2-methoxy -acridineN~1~-(2-Chloroethyl)-N~3~-(6-chloro-2-methoxyacridin-9-yl)-N~1~-ethylpropane-1,3-diamine
Database identifiers
- CAS
13015-79-7- PubChem CID
- 8972
- DTXSID
DTXSID50156369- ChEMBL
CHEMBL3416994- ChEBI
CHEBI:37594- UNII
- 568MU7Q5YZ
- Nikkaji
- J404.491F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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