Basic information
- CAS
133671-66-6- Standard SMILES
CN(C)CCNc1cc(-c2ccco2)nc2ccccc12- InChIKey
CRGKLHXVNVZAPA-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
- IUPAC
- N-[2-(furan-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
- English name
- RL5a >=98% (HPLC)
- Molecular formula
- C17H19N3O
- Molecular weight
- 281.35
Names & synonyms
133671-66-61,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-N-(2-(Dimethylamino)ethyl)-2-(2-furanyl)-4-quinolinamineDTXSID10158309N-[2-(Dimethylamino)ethyl]-2-(2-furanyl)-4-quinolinamine1,2-Ethanediamine, N'-[2-(2-furanyl)-4-quinolinyl]-N,N-dimethyl-RefChem:216204DTXCID2080800RL5aN-[2-(furan-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamineCHEMBL48063orb2665054
Show more names
RL5a >=98% (HPLC)1,2-Ethanediamine, N2-[2-(2-furanyl)-4-quinolinyl]-N1,N1-dimethyl-
CRGKLHXVNVZAPA-UHFFFAOYSA-NIFA67166AKOS024326508CS-0173190ST50450106AE-641/09577005T200589N-[2-(Dimethylamino)ethylamino]-2-(2-furanyl)-4-quinolinamine
Database identifiers
- CAS
133671-66-6- PubChem CID
- 453072
- DTXSID
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 93 · 93-95 °C
- Boiling point
- 452.9 · 452.9±45.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 mg/mL, · DMSO: 2mg/mL, clear
- pka
- 9.01 · 9.01±0.28(Predicted)
- form
- powder
- color
- white to very dark brown
- InChI
- 1S/C17H19N3O/c1-20(2)10-9-18-15-12-16(17-8-5-11-21-17)19-14-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
- InChIKey
- CRGKLHXVNVZAPA-UHFFFAOYSA-N
- SMILES
- N(CCNc1c2c(nc(c1)c3[o]ccc3)cccc2)(C)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesRL5a (compund C23) is a SETD8 inhibitor[1].
Suppliers2 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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