3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate (CAS 71130-76-2) — formula C31H26N6O4, molecular weight 546.6; category organic chemicals.
| CAS Number | 71130-76-2 |
|---|---|
| Molecular Formula | C31H26N6O4 |
| Molecular Weight | 546.6 |
| LogP | 6.4 |
| Category | Organic Chemicals |
3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate is a carbon-based organic compound with CAS registry number 71130-76-2 and molecular formula C31H26N6O4 (molecular weight 546.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 71130-76-2
Its molecular formula C31H26N6O4 comprises 31 C, 26 H, 6 N, 4 O atoms.
Also known as: 3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate · 3-[[[[N-(3-异氰酸甲基苯基)脲基]亚苯基]甲基]亚苯基氨基氨基甲酰基]苯甲酰基异氰酸酯
Category: organic chemicals
The CAS registry number of 3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate is 71130-76-2.
Molecular formula C31H26N6O4, molecular weight 546.6.
It is also registered under: 3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate, 3-[[[[N-(3-异氰酸甲基苯基)脲基]亚苯基]甲基]亚苯基氨基氨基甲酰基]苯甲酰基异氰酸酯.
Category: Organic Chemicals.
Independent reference data for 3-[[[[N-(3-isocyanatomethylphenyl)ureido]phenylene]methyl]phenyleneaminocarbamoyl]benzoyl isocyanate (CAS 71130-76-2), compiled from public chemistry databases.
| CAS 号 | 71130-76-2 |
|---|---|
| PubChem CID | 172742 |
| 分子式 | C31H26N6O4 |
| IUPAC 名称 | 1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea |
| UNII（FDA） | NS00037157 |
| Molecular Weight | 546.6 |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 546.20155333 |
| Monoisotopic Mass | 546.20155333 |
| Topological Polar Surface Area | 141 |
| Heavy Atom Count | 41 |
EINECS 275-215-8; DTXSID6072263; RefChem:901312; DTXCID2046919; 71130-76-2; XLFQDVBEZHKQDT-UHFFFAOYSA-N; NS00037157; 3-((((N-(3-Isocyanatomethylphenyl)ureido)phenylene)methyl)phenyleneaminocarbamoyl)benzoyl isocyanate
3-[[[[N-(3-异氰酸甲基苯基)脲基]亚苯基]甲基]亚苯基氨基氨基甲酰基]苯甲酰基异氰酸酯 · CAS 71130-76-2 · C31H26N6O4. UNII NS00037157.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.