N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester (CAS 1019206-66-6) — formula C34H41N7O5, molecular weight 627.7.
N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester (CAS 1019206-66-6) is classified under Food Additives, with molecular formula C34H41N7O5 and molecular weight 627.7, and serves as a key raw material in the food and beverage industry — commonly applied as a food additive, nutritional supplement, or processing aid where regulatory-grade purity is required. Jinan Shenghe Chemical Co., Ltd. supplies N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 1019206-66-6 |
|---|---|
| Molecular Formula | C34H41N7O5 |
| Molecular Weight | 627.7 |
| Melting Point | 132 |
| LogP | 3.8 |
| Applications | Uses: Use (kg, approx.) in Germany (2009): >50, Consumption (g per capita, approx.) in Germany (2009): 0.000611, Calculated removal (%): 95.4 |
Documented applications: Uses: Use (kg, approx.) in Germany (2009): >50, Consumption (g per capita, approx.) in Germany (2009): 0.000611, Calculated removal (%): 95.4.
N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester is a chemical compound with CAS registry number 1019206-66-6 and molecular formula C34H41N7O5 (molecular weight 627.7).
CAS number: 1019206-66-6
Its molecular formula C34H41N7O5 comprises 34 C, 41 H, 7 N, 5 O atoms.
Also known as: N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester · N-[2-[4-[N-(己氧基羰基)脒基]苯氨基甲基]-1-甲基-1H-苯并咪唑-5-基羰基]-N-(2-吡啶基)-β-丙氨酸乙酯
The CAS registry number of N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester is 1019206-66-6.
Molecular formula C34H41N7O5, molecular weight 627.7.
It is also registered under: N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester, N-[2-[4-[N-(己氧基羰基)脒基]苯氨基甲基]-1-甲基-1H-苯并咪唑-5-基羰基]-N-(2-吡啶基)-β-丙氨酸乙酯.
Recorded applications: Uses: Use (kg, approx.) in Germany (2009): >50, Consumption (g per capita, approx.) in Germany (2009): 0.000611, Calculated removal (%): 95.4.
Independent reference data for N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester (CAS 1019206-66-6), compiled from public chemistry databases.
| CAS Registry Number | 1019206-66-6 |
|---|---|
| PubChem CID | 135565674 |
| Molecular formula | C34H41N7O5 |
| IUPAC name | ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate |
| UNII (FDA) | 2E18WX195X |
| Molecular Weight | 627.7 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 18 |
| Exact Mass | 627.31691743 |
| Monoisotopic Mass | 627.31691743 |
| Topological Polar Surface Area | 152 |
| Heavy Atom Count | 46 |
| Melting Point | 132 |
|---|---|
| Melting Point | 180 °C |
| LogP | 3.8 |
Prazaxa; Pradax; BIBR 1048 BS RS1; DTXSID4057681; 2E18WX195X; DTXCID5031470; Etexilate, Dabigatran; RefChem:54924; 211915-06-9; BIBR-1048; BIBR-1048-BS-RS1; BIBR1048; CHEBI:70746; Dabigatran Etexilate; 1610666-09-5; MFCD16038312
| GHS notification summary | 85.7% (6 / 7) |
|---|
| GHS notification summary | 85.7% (6 / 7) |
|---|---|
| Reported hazard statements | H315 (14.3%), H319 (14.3%), H335 (14.3%) |
This chemical does not meet GHS hazard criteria for 85.7% (6 of 7) of all reports.
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]
N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester · CAS 1019206-66-6 · C34H41N7O5. UNII 2E18WX195X. Melting Point: 132; Melting Point: 180 °C; LogP: 3.8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-[2-[4-[N-(己氧基羰基)脒基]苯氨基甲基]-1-甲基-1H-苯并咪唑-5-基羰基]-N-(2-吡啶基)-β-丙氨酸乙酯