3,4,5-Pyridinetricarbonitrile, 2-amino-6-(N-methoxy-N-methylamino)-
Basic information
- CAS
102206-79-1- Standard SMILES
CON(C)c1nc(N)c(C#N)c(C#N)c1C#N- InChIKey
WXKUOSCGHLKUGU-UHFFFAOYSA-N- Molecular formula
- C10H8N6O
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.0759589
Names & identifiers
- Preferred name
- 3,4,5-Pyridinetricarbonitrile, 2-amino-6-(N-methoxy-N-methylamino)-
- IUPAC
- 2-amino-6-[methoxy(methyl)amino]pyridine-3,4,5-tricarbonitrile
- English name
- Amino-6-(N-methoxy-N-methylamino)-3,4,5-pyridinetricarbonitrile
- Molecular formula
- C10H8N6O
- Molecular weight
- 228.21
Names & synonyms
102206-79-13,4,5-Pyridinetricarbonitrile, 2-amino-6-(N-methoxy-N-methylamino)-Amino-6-(N-methoxy-N-methylamino)-3,4,5-pyridinetricarbonitrileDTXSID00144756RefChem:270548DTXCID70672472-amino-6-[methoxy(methyl)amino]pyridine-3,4,5-tricarbonitrileNSC6636132-Amino-6-(methoxy(methyl)amino)-3,4,5-pyridinetricarbonitrileCHEMBL1992208NSC-663613NCI60_021832
Show more names
3,4,5-Pyridinetricarbonitrile, 2-amino-6-(methoxymethylamino)-
Database identifiers
- CAS
102206-79-1- PubChem CID
- 379201
- DTXSID
DTXSID00144756- ChEMBL
CHEMBL1992208- Nikkaji
- J85.740H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 519.783 · 519.783±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.415 · 1.415±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.989 · -3.989±0.50(predicted)
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Compound notes
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