Basic information
- CAS
4456-80-8- Standard SMILES
O=C(CCCCC(=O)Nc1ccccc1)Nc1ccccc1- InChIKey
QZLPDBKEVWFQNF-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- Adipic dianilide
- IUPAC
- N,N'-diphenylhexanediamide
- English name
- ADIPIC DIANILIDE
- Molecular formula
- C18H20N2O2
- Molecular weight
- 296.36
Names & synonyms
Adipic dianilideAdipanilideN,N'-DiphenyladipamideHEXANEDIANILIDEHexanediamine, N,N'-diphenyl-N,N'-DiphenylhexanediamineHexanediamide, N,N'-diphenyl-EINECS 224-706-5GBK0R78W7KBRN 2815586DTXSID70196222N1,N6-DIPHENYLHEXANEDIAMIDE
Show more names
n,n’-diphenyladipamiden,n’-diphenyl-hexanediaminN,N''-DIPHENYLHEXANEDIAMIDE)Hexanediamide, N1,N6-diphenyl-
4-12-00-00471 (Beilstein Handbook Reference)RefChem:109792DTXCID80118713Hexanediamine, N,N'-diphenyl-(9CI)QZLPDBKEVWFQNF-UHFFFAOYSA-NN,N'-diphenylhexanediamide4456-80-8UNII-GBK0R78W7K
Database identifiers
- CAS
4456-80-8- PubChem CID
- 20523
- DTXSID
DTXSID70196222- ChEMBL
CHEMBL1603939- UNII
- GBK0R78W7K
- EC Number
- 224-706-5
- Nikkaji
- J14.620J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 R78W7K · GBK0R78W7K
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-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
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H410
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers3 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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