N,N-Dimethyl-N-[4-[2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-ylcarboxamido]benzyl]tetrahydro-2H-pyran-4-aminium chloride (CAS 229005-80-5) — formula C33H39ClN2O2, molecular weight 531.1; category organic chemicals.
| CAS Number | 229005-80-5 |
|---|---|
| Molecular Formula | C33H39ClN2O2 |
| Molecular Weight | 531.1 |
| Category | Organic Chemicals |
N,N-Dimethyl-N-[4-[2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-ylcarboxamido]benzyl]tetrahydro-2H-pyran-4-aminium chloride is a carbon-based organic compound with CAS registry number 229005-80-5 and molecular formula C33H39ClN2O2 (molecular weight 531.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 229005-80-5
Its molecular formula C33H39ClN2O2 comprises 33 C, 39 H, 1 Cl, 2 N, 2 O atoms.
Also known as: N,N-Dimethyl-N-[4-[2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-ylcarboxamido]benzyl]tetrahydro-2H-pyran-4-aminium chloride · N,N-二甲基-N-(4-(2-(对甲苯基)-6,7-二氢-5H-苯并[7]环庚烯-8-甲酰胺基)苄基)四氢-2H-吡喃-4-铵氯化物
Category: organic chemicals
The CAS registry number of N,N-Dimethyl-N-[4-[2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-ylcarboxamido]benzyl]tetrahydro-2H-pyran-4-aminium chloride is 229005-80-5.
Molecular formula C33H39ClN2O2, molecular weight 531.1.
It is also registered under: N,N-Dimethyl-N-[4-[2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-ylcarboxamido]benzyl]tetrahydro-2H-pyran-4-aminium chloride, N,N-二甲基-N-(4-(2-(对甲苯基)-6,7-二氢-5H-苯并[7]环庚烯-8-甲酰胺基)苄基)四氢-2H-吡喃-4-铵氯化物.
Category: Organic Chemicals.
Independent reference data for N,N-Dimethyl-N-[4-[2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-ylcarboxamido]benzyl]tetrahydro-2H-pyran-4-aminium chloride (CAS 229005-80-5), compiled from public chemistry databases.
| CAS 号 | 229005-80-5 |
|---|---|
| PubChem CID | 183789 |
| 分子式 | C33H39ClN2O2 |
| IUPAC 名称 | dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride |
| UNII（FDA） | BQW1Y9KIIP |
| Molecular Weight | 531.1 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 530.2700062 |
| Monoisotopic Mass | 530.2700062 |
| Topological Polar Surface Area | 38.3 |
| Heavy Atom Count | 38 |
RefChem:926494; TAK-779; 229005-80-5; TAK 779; TAK 799; Takeda 779; BQW1Y9KIIP; TAK779; SCHEMBL48548; CID 183789; F84995; CHEMBL41275; UNII-BQW1Y9KIIP; E-921; VDALIBWXVQVFGZ-UHFFFAOYSA-N; Takeda779
N,N-二甲基-N-(4-(2-(对甲苯基)-6,7-二氢-5H-苯并[7]环庚烯-8-甲酰胺基)苄基)四氢-2H-吡喃-4-铵氯化物 · CAS 229005-80-5 · C33H39ClN2O2. UNII BQW1Y9KIIP.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N,N-二甲基-N-(4-(2-(对甲苯基)-6,7-二氢-5H-苯并[7]环庚烯-8-甲酰胺基)苄基)四氢-2H-吡喃-4-铵氯化物