Basic information
- CAS
50351-72-9- Standard SMILES
N#Cc1cccnc1NCc1ccccc1- InChIKey
GSDQHSDPGWFMHN-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 2-(Benzylamino)nicotinonitrile
- IUPAC
- 2-(benzylamino)pyridine-3-carbonitrile
- English name
- 2-(BENZYLAMINO)NICOTINONITRILE
- Molecular formula
- C13H11N3
- Molecular weight
- 209.25
Names & synonyms
2-(benzylamino)nicotinonitrile50351-72-92-(benzylamino)pyridine-3-carbonitrile2-BenzylaminonicotinonitrileMFCD09455270SCHEMBL3288539DTXSID80340158ALBB-004812AKOS000171683LS-01749CS-0205348H23567
Show more names
2-Benzylamino-3-cyanopyridine3-Pyridinecarbonitrile, 2-[(phenylmethyl)amino]-
Z31197149
Database identifiers
- CAS
50351-72-9- PubChem CID
- 562158
- DTXSID
DTXSID80340158- Nikkaji
- J579.278I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
5 records
Compound notes
Loading…