Basic information
- CAS
38915-15-0- Standard SMILES
COc1cccc2c([NH2+]CCSCCCl)c3ccccc3nc12.[Cl-]- InChIKey
NGVOEDDNBXEUTH-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N2OS
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 382.0673398
Names & identifiers
- Preferred name
- 9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-4-methoxy-, hydrochloride, hemihydrate
- IUPAC
- 2-(2-chloroethylsulfanyl)ethyl-(4-methoxyacridin-9-yl)azanium chloride
Names & synonyms
ICR 42738915-15-09-((2-((2-Chloroethyl)thio)ethyl)amino)-4-methoxyacridine hydrochloride hemihydrate9-Acridinamine, N-(2-((2-chloroethyl)thio)ethyl)-4-methoxy-, hydrochloride, hemihydrateAcridine, 9-((2-((2-chloroethyl)thio)ethyl)amino)-4-methoxy-, hydrochloride, hemihydrateRefChem:312926
Database identifiers
- CAS
38915-15-0- PubChem CID
- 38142
Properties
Computed structural properties
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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