4β-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1α-acetic acid (CAS 52320-89-5) — formula C11H18ClN3O4, molecular weight 291.73; category organic chemicals.
| CAS Number | 52320-89-5 |
|---|---|
| Molecular Formula | C11H18ClN3O4 |
| Molecular Weight | 291.73 |
| LogP | 2.3 |
| Category | Organic Chemicals |
4β-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1α-acetic acid is a carbon-based organic compound with CAS registry number 52320-89-5 and molecular formula C11H18ClN3O4 (molecular weight 291.73), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52320-89-5
Its molecular formula C11H18ClN3O4 comprises 11 C, 18 H, 1 Cl, 3 N, 4 O atoms.
Also known as: 4β-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1α-acetic acid · 4β-[3-(2-氯乙基)-3-亚硝基脲基]环己烷-1α-乙酸
Category: organic chemicals
The CAS registry number of 4β-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1α-acetic acid is 52320-89-5.
Molecular formula C11H18ClN3O4, molecular weight 291.73.
It is also registered under: 4β-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1α-acetic acid, 4β-[3-(2-氯乙基)-3-亚硝基脲基]环己烷-1α-乙酸.
Category: Organic Chemicals.
Independent reference data for 4β-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1α-acetic acid (CAS 52320-89-5), compiled from public chemistry databases.
| CAS 号 | 52320-89-5 |
|---|---|
| PubChem CID | 98897 |
| 分子式 | C11H18ClN3O4 |
| IUPAC 名称 | 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]acetic acid |
| UNII（FDA） | W23GDS6G8G |
| Molecular Weight | 291.73 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 291.0985838 |
| Monoisotopic Mass | 291.0985838 |
| Topological Polar Surface Area | 99.1 |
| Heavy Atom Count | 19 |
Cyclohexaneacetic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, trans-; RefChem:1082500; 52320-89-5; 56208-24-3; NSC-204816; Cyclohexaneacetic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, cis-; NSC 204816; NSC 175377; cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid; W23GDS6G8G; Cyclohexaneacetic acid, cis-; Cyclohexaneacetic acid, (E)-; Cyclohexaneacetic acid, (Z)-; Cyclohexaneacetic acid, trans-; CHEMBL1995873; CHEMBL1999834
4β-[3-(2-氯乙基)-3-亚硝基脲基]环己烷-1α-乙酸 · CAS 52320-89-5 · C11H18ClN3O4. UNII W23GDS6G8G.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.