Basic information
- CAS
19581-16-9- Standard SMILES
CCOC(=O)c1ccc(N=Nc2c(N)nc(N)nc2NCCCCCCN(CC)CCCl)cc1.Cl- InChIKey
ASEFZQLXLXPSHD-UHFFFAOYSA-N- Molecular formula
- C23H36Cl2N8O2
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 526.2338278
Names & identifiers
- Preferred name
- Benzoic acid, p-((2,4-diamino-6-((6-((2-chloroethyl)ethylamino)hexyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3)
- IUPAC
- ethyl 4-[[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate;hydrochloride
Names & synonyms
19581-16-9Benzoic acid, p-((2,4-diamino-6-((6-((2-chloroethyl)ethylamino)hexyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3)
Database identifiers
- CAS
19581-16-9- PubChem CID
- 29674
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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