1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester (CAS 404595-97-7) — formula C39H67N5O8, molecular weight 734.0; category organic chemicals.
| CAS Number | 404595-97-7 |
|---|---|
| Molecular Formula | C39H67N5O8 |
| Molecular Weight | 734.0 |
| LogP | 5.1 |
| Category | Organic Chemicals |
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester is a carbon-based organic compound with CAS registry number 404595-97-7 and molecular formula C39H67N5O8 (molecular weight 734.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 404595-97-7
Its molecular formula C39H67N5O8 comprises 39 C, 67 H, 5 N, 8 O atoms.
Also known as: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester · 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸，2-[(4-氨基苯基)甲基]-四(1,1-二甲基乙基)酯
Category: organic chemicals
The CAS registry number of 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester is 404595-97-7.
Molecular formula C39H67N5O8, molecular weight 734.0.
It is also registered under: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester, 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸，2-[(4-氨基苯基)甲基]-四(1,1-二甲基乙基)酯.
Category: Organic Chemicals.
Independent reference data for 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aMinophenyl)Methyl]-, tetrakis(1,1-diMethylethyl) ester (CAS 404595-97-7), compiled from public chemistry databases.
| CAS 号 | 404595-97-7 |
|---|---|
| PubChem CID | 145840707 |
| 分子式 | C39H67N5O8 |
| IUPAC 名称 | tert-butyl 2-[6-[(4-aminophenyl)methyl]-4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate |
| Molecular Weight | 734.0 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 18 |
| Exact Mass | 733.49896411 |
| Monoisotopic Mass | 733.49896411 |
| Topological Polar Surface Area | 144 |
| Heavy Atom Count | 52 |
404595-97-7; SCHEMBL23191925; WSA06119; p-NH?-Bn-DOTA-tetra(t-Bu ester); CS-0120851
1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸，2-[(4-氨基苯基)甲基]-四(1,1-二甲基乙基)酯 · CAS 404595-97-7 · C39H67N5O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸，2-[(4-氨基苯基)甲基]-四(1,1-二甲基乙基)酯