2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester (CAS 6606-06-0) — formula C25H31NO3, molecular weight 393.5; category organic chemicals.
| CAS Number | 6606-06-0 |
|---|---|
| Molecular Formula | C25H31NO3 |
| Molecular Weight | 393.5 |
| LogP | 4.9 |
| Category | Organic Chemicals |
2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester is a carbon-based organic compound with CAS registry number 6606-06-0 and molecular formula C25H31NO3 (molecular weight 393.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6606-06-0
Its molecular formula C25H31NO3 comprises 25 C, 31 H, 1 N, 3 O atoms.
Also known as: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester · 2-甲基二苯乙醇酸=2-(9-氮杂双环[3.3.1]壬-9-基)乙酯
Category: organic chemicals
The CAS registry number of 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester is 6606-06-0.
Molecular formula C25H31NO3, molecular weight 393.5.
It is also registered under: 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester, 2-甲基二苯乙醇酸=2-(9-氮杂双环[3.3.1]壬-9-基)乙酯.
Category: Organic Chemicals.
Independent reference data for 2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester (CAS 6606-06-0), compiled from public chemistry databases.
| CAS 号 | 6606-06-0 |
|---|---|
| PubChem CID | 23082 |
| 分子式 | C25H31NO3 |
| IUPAC 名称 | 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate |
| Molecular Weight | 393.5 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 393.23039385 |
| Monoisotopic Mass | 393.23039385 |
| Topological Polar Surface Area | 49.8 |
| Heavy Atom Count | 29 |
KSD 2391; 6606-06-0; BRN 1665097; 9-(2-Hydroxyethyl)-9-azabicyclo(3.3.1)nonane o-methylbenzilate; 9-Azabicyclo(3.3.1)nonane, 9-(2'-methylbenziloyloxyethyl)-; 9-AZABICYCLO(3.3.1)NONANE, 9-(2-HYDROXYETHYL)-, o-METHYLBENZILATE; N-(omega-Hydroxyethyl)-norgranatan alpha-hydroxy-alpha-(2-methyldiphenylacetyl)ester; N-(omega-Hydroxyethyl)-norgranatan alpha-hydroxy-alpha-(2-methyldiphenylacetyl)ester [German]; RefChem:312973; DTXSID80984536; 2-(9-Azabicyclo[3.3.1]nonan-9-yl)ethyl hydroxy(2-methylphenyl)(phenyl)acetate; 2-(9-Azabicyclo[3.3.1]nonan-9-yl)ethyl hydroxy(2-methylphenyl)phenylacetate
2-甲基二苯乙醇酸=2-(9-氮杂双环[3.3.1]壬-9-基)乙酯 · CAS 6606-06-0 · C25H31NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.