Basic information
- CAS
19858-61-8- Standard SMILES
COc1cc2c(C#N)c(OC)nc(N)c2c(N)n1- InChIKey
PWTPNGNIVWZAAU-UHFFFAOYSA-N- Molecular formula
- C11H11N5O2
- Average molar mass
- 245.24 g/mol
- Monoisotopic mass
- 245.09127461
Names & identifiers
- Preferred name
- 1,8-Diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
- IUPAC
- 1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
- English name
- 1,8-DIAMINO-3,6-DIMETHOXY-2,7-NAPHTHYRIDINE-4-CARBONITRILE
- Molecular formula
- C11H11N5O2
- Molecular weight
- 245.24
Names & synonyms
1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile19858-61-82,7-Naphthyridine-4-carbonitrile, 1,8-diamino-3,6-dimethoxy-Oprea1_699069DTXSID00352612HMS1763N06UAA85861AKOS000122794CS-0234267EN300-14028AE-641/15338299SR-01000035087
Show more names
SR-01000035087-1Z568477401,8-diamino-3,6-dimethoxy[2,7]naphthyridine-4-carbonitrile
Database identifiers
- CAS
19858-61-8- PubChem CID
- 730229
- DTXSID
DTXSID00352612
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 510.3 · 510.3±50.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 5.05 · 5.05±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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