Basic information
- CAS
137440-93-8- Standard SMILES
Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1- InChIKey
NKIDELMZCLMHBH-UHFFFAOYSA-N- Molecular formula
- C16H18N4
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.15314659
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
- IUPAC
- 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
- English name
- 2-(Benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
- Molecular formula
- C16H18N4
- Molecular weight
- 266.34
Names & synonyms
BRN 54404093-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-4-(Dimethylamino)-6-methyl-2-((phenylmethyl)amino)-3-pyridinecarbonitrileDTXSID701601854-(dimethylamino)-6-methyl-2-[(phenylmethyl)amino]-3-pyridinecarbonitrileRefChem:282066DTXCID8082676137440-93-82-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrileMLS000036165SMR0000416732-(BENZYLAMINO)-4-(DIMETHYLAMINO)-6-METHYLNICOTINONITRILE
Show more names
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-[(phenylmethyl)amino]-
cid_660897CHEMBL1431655BDBM56009HMS2275J21STL335873AKOS001668838EU-0081161SR-01000150401
Database identifiers
- CAS
137440-93-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 470.8 · 470.8±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 6.28 · 6.28±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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