4-N-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-6-yl)pentane-1,4-diamine;phosphoric acid
Basic information
- CAS
88756-23-4- Standard SMILES
CC(CCCN)Nc1cc2c(c3cccnc13)OCCO2.O=P(O)(O)O- InChIKey
JLAKYBVPSVUKMH-UHFFFAOYSA-N- Molecular formula
- C16H24N3O6P
- Average molar mass
- 385.35 g/mol
- Monoisotopic mass
- 385.14027249
Names & identifiers
- Preferred name
- 4-N-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-6-yl)pentane-1,4-diamine;phosphoric acid
- IUPAC
- 4-N-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-6-yl)pentane-1,4-diamine;phosphoric acid
Names & synonyms
NSC30581888756-23-4DTXSID90316708NSC-305818N~4~-(2,3-Dihydro[1,4]dioxino[2,3-f]quinolin-6-yl)pentane-1,4-diamine phosphateN4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-6-yl)pentane-1,4-diamine; phosphoric acidPhosphoric acid--N~4~-(2,3-dihydro[1,4]dioxino[2,3-f]quinolin-6-yl)pentane-1,4-diamine (1/1)
Database identifiers
- CAS
88756-23-4- PubChem CID
- 328152
- DTXSID
DTXSID90316708
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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