BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER (CAS 139481-28-0) — formula C22H17N3O4, molecular weight 387.4; category organic chemicals.
| CAS Number | 139481-28-0 |
|---|---|
| Molecular Formula | C22H17N3O4 |
| Molecular Weight | 387.4 |
| LogP | 5 |
| Category | Organic Chemicals |
BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER is a carbon-based organic compound with CAS registry number 139481-28-0 and molecular formula C22H17N3O4 (molecular weight 387.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 139481-28-0
Its molecular formula C22H17N3O4 comprises 22 C, 17 H, 3 N, 4 O atoms.
Also known as: BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER · 甲基2-((2`-氰基联苯-4-基)甲氨基)-3-硝基苯甲酸甲酯
Category: organic chemicals
The CAS registry number of BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER is 139481-28-0.
Molecular formula C22H17N3O4, molecular weight 387.4.
It is also registered under: BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER, 甲基2-((2`-氰基联苯-4-基)甲氨基)-3-硝基苯甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER (CAS 139481-28-0), compiled from public chemistry databases.
| CAS 号 | 139481-28-0 |
|---|---|
| PubChem CID | 15654651 |
| 分子式 | C22H17N3O4 |
| IUPAC 名称 | methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate |
| UNII（FDA） | CP3VL64B49 |
| Molecular Weight | 387.4 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 387.12190603 |
| Monoisotopic Mass | 387.12190603 |
| Topological Polar Surface Area | 108 |
| Heavy Atom Count | 29 |
methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate; methyl 2-((4-(2-cyanophenyl)phenyl)methylamino)-3-nitrobenzoate; RefChem:813077; 604-135-1; 139481-28-0; Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate; MFCD09029084; 2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic Acid Methyl Ester; C22H17N3O4; benzoic acid, 2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-methyl ester; Methyl 2-[[(2'-Cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate; Methyl 2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate; Methyl 2-{[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoate; Candesartan Cilexetil Impurity 24; ZIRAEAZVSCADHC-UHFFFAOYSA-N; 4-yl)methyl]amino]-3-nitro-,methyl ester
| GHS 通报统计 | 100% (2 / 2) |
|---|
| GHS 通报统计 | 100% (2 / 2) |
|---|
甲基2-((2`-氰基联苯-4-基)甲氨基)-3-硝基苯甲酸甲酯 · CAS 139481-28-0 · C22H17N3O4. UNII CP3VL64B49.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.