4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid (CAS 42558-94-1) — formula C10H16ClN3O4, molecular weight 277.70; category organic chemicals.
| CAS Number | 42558-94-1 |
|---|---|
| Molecular Formula | C10H16ClN3O4 |
| Molecular Weight | 277.70 |
| LogP | 1.7 |
| Category | Organic Chemicals |
4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid is a carbon-based organic compound with CAS registry number 42558-94-1 and molecular formula C10H16ClN3O4 (molecular weight 277.70), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42558-94-1
Its molecular formula C10H16ClN3O4 comprises 10 C, 16 H, 1 Cl, 3 N, 4 O atoms.
Also known as: 4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid · 4β-[3-(2-氯乙基)-3-亚硝基脲基]-1α-环己烷甲酸
Category: organic chemicals
The CAS registry number of 4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid is 42558-94-1.
Molecular formula C10H16ClN3O4, molecular weight 277.70.
It is also registered under: 4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid, 4β-[3-(2-氯乙基)-3-亚硝基脲基]-1α-环己烷甲酸.
Category: Organic Chemicals.
Independent reference data for 4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid (CAS 42558-94-1), compiled from public chemistry databases.
| CAS 号 | 42558-94-1 |
|---|---|
| PubChem CID | 93238 |
| 分子式 | C10H16ClN3O4 |
| IUPAC 名称 | 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acid |
| Molecular Weight | 277.70 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 277.0829337 |
| Monoisotopic Mass | 277.0829337 |
| Topological Polar Surface Area | 99.1 |
| Heavy Atom Count | 18 |
42558-94-1; DTXSID40195343; Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, trans-; RefChem:1082522; DTXCID50117834; cis-Cccnu; Cis-acid; NSC 153174; 42558-93-0; cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid; NSC 153175; NSC-153174; trans-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid; Urea, 3-(4-carboxycyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (E)-; CHEMBL12920; CHEMBL1964420
4β-[3-(2-氯乙基)-3-亚硝基脲基]-1α-环己烷甲酸 · CAS 42558-94-1 · C10H16ClN3O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.