Basic information
- CAS
56402-79-0- Standard SMILES
COc1ccc(NC(=O)Nc2ccc(OC)cc2OC)c(OC)c1- InChIKey
XXHWTNYJQYPNGF-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13722174
Names & identifiers
- Preferred name
- 1,3-Bis(2,4-dimethoxyphenyl)urea
- IUPAC
- 1,3-bis(2,4-dimethoxyphenyl)urea
- English name
- 1,3-Bis(2,4-dimethoxyphenyl)urea
- Molecular formula
- C17H20N2O5
- Molecular weight
- 332.35
Names & synonyms
1,3-bis(2,4-dimethoxyphenyl)urea56402-79-0RefChem:413925667-825-1Pygmaniline BN,N'-bis(2,4-dimethoxyphenyl)ureaorb1679954STK151324TN7150AKOS001444319EBC-617081TS-10230
Show more names
Pygmaniline B, 10 mM in DMSOUrea, N,N'-bis(2,4-dimethoxyphenyl)-
ST50554356Z281787596N-(2,4-dimethoxyphenyl)[(2,4-dimethoxyphenyl)amino]carboxamide
Database identifiers
- CAS
56402-79-0- PubChem CID
- 3694021
- EC Number
- 667-825-1
- Nikkaji
- J3.622.804K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · 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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers4 total
上海一飞生物科技有限公司021-65675885 18964387627 · [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]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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