Basic information
- CAS
5469-94-3- Standard SMILES
Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2)cc1- InChIKey
CIGKFIJIRVGTGE-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- p-Malonotoluidide
- IUPAC
- N,N'-bis(4-methylphenyl)propanediamide
- English name
- p-malonotoluidide
- Molecular formula
- C17H18N2O2
- Molecular weight
- 282.34
Names & synonyms
p-Malonotoluidide5469-94-3N,N'-bis(4-methylphenyl)propanediamideBRN 2701022Propanediamide, N,N'-bis(4-methylphenyl)-DTXSID702031473-12-00-02073 (Beilstein Handbook Reference)NSC 26925RefChem:858100DTXCID70125638993-670-7N1,N3-Di-p-tolylmalonamide
Show more names
N1,N3-di-p-tolyl malonamidedi(p-toluidide)ofmalonicacidN1,N3-diparamethylphenylpropyldiamiden,n’-bis(4-methylphenyl)-propanediamidN1,N3-Bis(4-methylphenyl)propanediamideN,N′-Di-p-tolyl-malonamide, CAS 5469-94-3Propanediamide, N1,N3-bis(4-methylphenyl)-
N,N'-Di-p-tolyl-malonamideMFCD00419232N1,N3-Bis(4-methylphenyl)malonamideN-(4-Methylphenyl)-N'-(4-methylphenyl)propane-1,3-diamiden,n'-bis(4-methylphenyl)malonamideNSC26925TimTec1_000203Oprea1_330033
Database identifiers
- CAS
5469-94-3- PubChem CID
- 95277
- DTXSID
DTXSID70203147- ChEMBL
CHEMBL342477- EC Number
- 993-670-7
- Nikkaji
- J1.406.497D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- HS Code
- 2924297099 · 2924297099
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%)
Safety data
- hs_code
- 2924297099
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京英士奇生物科技有限公司18727012071 18727012071 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…