Basic information
- CAS
54842-56-7- Standard SMILES
CCCCCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1- InChIKey
CDYNAVAHDOMZAZ-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 4'-Cyanobenzylidene-4-hexyloxyaniline
- IUPAC
- 4-[(4-hexoxyphenyl)iminomethyl]benzonitrile
- English name
- 4'-Cyanobenzylidene-4-n-hexyloxyaniline
- Molecular formula
- C20H22N2O
- Molecular weight
- 306.4
Names & synonyms
4'-Cyanobenzylidene-4-hexyloxyanilineRefChem:506081679-600-554842-56-7p-(p-Hexyloxyphenyliminomethyl)benzonitrile4-[(4-hexoxyphenyl)iminomethyl]benzonitrile4-(((4-(Hexyloxy)phenyl)imino)methyl)benzonitrileSCHEMBL3082828SCHEMBL12416671DTXSID30346665CDYNAVAHDOMZAZ-CJLVFECKSA-NCDYNAVAHDOMZAZ-UHFFFAOYSA-N
Show more names
Cyanobenzylidenehexyloxyaniline4'-Cyanobenzylidene-4-n-hexyloxyanilineN-(4-Cyanobenzylidene)-4-hexyloxyanilineN-(P-CYANOBENZYLIDENE)-P-(HEXYLOXY)ANILINE4-[(4-Hexyloxyphenyl)iminomethyl]benzonitrile4-[[(4-Hexyloxyphenyl)imino]methyl]benzonitrileBenzonitrile, 4-[[[4-(hexyloxy)phenyl]imino]methyl]-
4-[(E)-{[4-(Hexyloxy)phenyl]imino}methyl]benzonitrile4-((E)-([4-(Hexyloxy)phenyl]imino)methyl)benzonitrile #
Database identifiers
- CAS
54842-56-7- PubChem CID
- 613862
- DTXSID
DTXSID30346665- EC Number
- 679-600-5
- Nikkaji
- J150.245J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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