3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride (CAS 85959-18-8) — formula C27H30N5O2S.Cl, molecular weight 524.1; category organic chemicals.
| CAS Number | 85959-18-8 |
|---|---|
| Molecular Formula | C27H30N5O2S.Cl |
| Molecular Weight | 524.1 |
| Category | Organic Chemicals |
3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride is a carbon-based organic compound with CAS registry number 85959-18-8 and molecular formula C27H30N5O2S.Cl (molecular weight 524.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85959-18-8
Its molecular formula C27H30N5O2S.Cl comprises 27 C, 30 H, 5 N, 2 O, 1 S, 1 Cl atoms.
Also known as: 3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride · 3-(3-氨基-3-氧代丙基)-2-[[4-(苄基乙基氨基)苯基]偶氮]-6-乙氧基苯并噻唑氯化物
Category: organic chemicals
The CAS registry number of 3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride is 85959-18-8.
Molecular formula C27H30N5O2S.Cl, molecular weight 524.1.
It is also registered under: 3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride, 3-(3-氨基-3-氧代丙基)-2-[[4-(苄基乙基氨基)苯基]偶氮]-6-乙氧基苯并噻唑氯化物.
Category: Organic Chemicals.
Independent reference data for 3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride (CAS 85959-18-8), compiled from public chemistry databases.
| CAS 号 | 85959-18-8 |
|---|---|
| PubChem CID | 44148330 |
| 分子式 | C27H30N5O2S.Cl |
| IUPAC 名称 | 3-[2-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide chloride |
| UNII（FDA） | NS00066009 |
| Molecular Weight | 524.1 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 523.1808741 |
| Monoisotopic Mass | 523.1808741 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 36 |
Benzothiazolium, 3-(3-amino-3-oxopropyl)-6-ethoxy-2-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-, chloride; Benzothiazolium, 3-(3-amino-3-oxopropyl)-6-ethoxy-2-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-, chloride; RefChem:566341; EINECS 289-009-0; 3-(3-Amino-3-oxopropyl)-2-((4-(benzylethylamino)phenyl)azo)-6-ethoxybenzothiazolium chloride; 85959-18-8; NS00066009
3-(3-氨基-3-氧代丙基)-2-[[4-(苄基乙基氨基)苯基]偶氮]-6-乙氧基苯并噻唑氯化物 · CAS 85959-18-8 · C27H30N5O2S.Cl. UNII NS00066009.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.