Basic information
- CAS
361199-02-2- Standard SMILES
CCOc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2OCC)n1- InChIKey
GZVLZBJJCRCRBQ-UHFFFAOYSA-N- Molecular formula
- C19H20ClN5O2
- Average molar mass
- 385.8 g/mol
Names & identifiers
- Preferred name
- 6-chloro-N,N'-bis(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N,4-N-bis(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
- English name
- AKOS BBS-00005406
- Molecular formula
- C19H20ClN5O2
- Molecular weight
- 385.85
Names & synonyms
361199-02-26-chloro-N,N'-bis(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine6-chloro-N2,N4-bis(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamineMFCD022382736-chloro-2-N,4-N-bis(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamineMLS-0463499.00011,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(2-ethoxyphenyl)-{4-chloro-6-[(2-ethoxyphenyl)amino](1,3,5-triazin-2-yl)}(2-ethoxyphenyl)amineOprea1_078800CHEMBL1981516BDBM87067cid_1916602
Show more names
ZINC02296267ASISCHEM C34297AKOS BBS-000054061,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(2-ethoxyphenyl)-[4-chloro-6-[(2-ethoxyphenyl)amino]-s-triazin-2-yl]-(2-ethoxyphenyl)amine
ALBB-022066SBB041695STK009871AKOS000270287SB73538LS-06807CS-0317959ST50104451
Database identifiers
- CAS
361199-02-2
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 579.6 · 579.6±60.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 2.93 · 2.93±0.10(Predicted)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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