CAS 769-27-7 6-Amino-2,4-dimethyl-3-pyridinecarbonitrile (HCID 3793299)

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Basic information

CAS: 769-27-7
Standard SMILES: Cc1cc(N)nc(C)c1C#N
InChIKey: ZFXMWBGQRGABCI-UHFFFAOYSA-N
Molecular formula: C8H9N3
Average molar mass: 147.18 g/mol
Monoisotopic mass: 147.07964729

Names & identifiers

Preferred name: 6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
IUPAC: 6-amino-2,4-dimethylpyridine-3-carbonitrile
English name: 6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
Molecular formula: C8H9N3
Molecular weight: 147.18

Names & synonyms

6-AMINO-2,4-DIMETHYL-3-PYRIDINECARBONITRILERefChem:540130654-064-56-amino-2,4-dimethylnicotinonitrile769-27-76-amino-2,4-dimethylpyridine-3-carbonitrileMFCD000273706-amino-3-cyano-2,4-dimethylpyridine6-amino-2,4-dimethyl-pyridine-3-carbonitrileMLS000763606SCHEMBL5536866-Amino-3-cyan-2,4-lutidin

Show more names

6-amino-2,4-dimethyL3-Pyridinecarbonitrile, 6-amino-2,4-dimethyl-

CHEMBL1401631SCHEMBL30370553DTXSID20396497ZFXMWBGQRGABCI-UHFFFAOYSA-NHMS2617G216-amino-2,4-dimethyl-nicotinonitrileAKOS006342722SB52379

Database identifiers

CAS: 769-27-7
PubChem CID: 3793299
DTXSID: DTXSID20396497
ChEMBL: CHEMBL1401631
EC Number: 654-064-5
Nikkaji: J567.151E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 230 °C · 230 °C
Boiling point: 314.5 · 314.5±42.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 4.3 · 4.30±0.48(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 261 · P261-P280-P301+P310-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.