1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid (CAS 31949-65-2) — formula C28H27N3O7S, molecular weight 549.6; category organic chemicals.
| CAS Number | 31949-65-2 |
|---|---|
| Molecular Formula | C28H27N3O7S |
| Molecular Weight | 549.6 |
| LogP | 3.6 |
| Category | Organic Chemicals |
1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid is a carbon-based organic compound with CAS registry number 31949-65-2 and molecular formula C28H27N3O7S (molecular weight 549.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31949-65-2
Its molecular formula C28H27N3O7S comprises 28 C, 27 H, 3 N, 7 O, 1 S atoms.
Also known as: 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid · 1-氨基-4-[[3-[(六氢-2-氧代-1H-氮杂-1-基)甲基]-4-甲氧基苯基]氨基]-9,10-二氢-9,10-二氧蒽-2-磺酸
Category: organic chemicals
The CAS registry number of 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid is 31949-65-2.
Molecular formula C28H27N3O7S, molecular weight 549.6.
It is also registered under: 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-氨基-4-[[3-[(六氢-2-氧代-1H-氮杂-1-基)甲基]-4-甲氧基苯基]氨基]-9,10-二氢-9,10-二氧蒽-2-磺酸.
Category: Organic Chemicals.
Independent reference data for 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid (CAS 31949-65-2), compiled from public chemistry databases.
| CAS 号 | 31949-65-2 |
|---|---|
| PubChem CID | 11970463 |
| 分子式 | C28H27N3O7S |
| IUPAC 名称 | 1-amino-4-[4-methoxy-3-[(2-oxoazepan-1-yl)methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid |
| UNII（FDA） | NS00029198 |
| Molecular Weight | 549.6 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 549.15697138 |
| Monoisotopic Mass | 549.15697138 |
| Topological Polar Surface Area | 164 |
| Heavy Atom Count | 39 |
31949-65-2; EINECS 250-871-8; DTXSID40185784; CUNBYQPKMZMTFZ-UHFFFAOYSA-N; NS00029198; 1-Amino-4-{4-methoxy-3-[(2-oxoazepan-1-yl)methyl]anilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
1-氨基-4-[[3-[(六氢-2-氧代-1H-氮杂-1-基)甲基]-4-甲氧基苯基]氨基]-9,10-二氢-9,10-二氧蒽-2-磺酸 · CAS 31949-65-2 · C28H27N3O7S. UNII NS00029198.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-氨基-4-[[3-[(六氢-2-氧代-1H-氮杂-1-基)甲基]-4-甲氧基苯基]氨基]-9,10-二氢-9,10-二氧蒽-2-磺酸