Basic information
- CAS
1184830-28-1- Standard SMILES
CN(c1ccc(N)cc1)c1nc(Cl)nc(Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2S(=O)(=O)O)n1- InChIKey
QAPGFWWWZRPLEZ-UHFFFAOYSA-N- Molecular formula
- C20H17ClN6O7S2
- Average molar mass
- 553 g/mol
- Monoisotopic mass
- 552.0288669
Names & identifiers
- Preferred name
- 2-[[4-[(4-Aminophenyl)methylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxy-1,7-naphthalenedisulfonic acid
- IUPAC
- 2-[[4-(4-amino-N-methylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid
Names & synonyms
DTXSID4011084951184830-28-12-[[4-[(4-Aminophenyl)methylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxy-1,7-naphthalenedisulfonic acid
Database identifiers
- CAS
1184830-28-1- PubChem CID
- 165367409
- DTXSID
DTXSID401108495
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 972
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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