DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE (CAS 186038-82-4) — formula C13H21NO4, molecular weight 255.31; category organic chemicals.
| CAS Number | 186038-82-4 |
|---|---|
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.31 |
| LogP | 2.3 |
| Category | Organic Chemicals |
DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE is a carbon-based organic compound with CAS registry number 186038-82-4 and molecular formula C13H21NO4 (molecular weight 255.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 186038-82-4
Its molecular formula C13H21NO4 comprises 13 C, 21 H, 1 N, 4 O atoms.
Also known as: DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE · (1-氰基-3-甲基丁基)丙二酸二乙酯
Category: organic chemicals
The CAS registry number of DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE is 186038-82-4.
Molecular formula C13H21NO4, molecular weight 255.31.
It is also registered under: DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE, (1-氰基-3-甲基丁基)丙二酸二乙酯.
Category: Organic Chemicals.
Independent reference data for DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE (CAS 186038-82-4), compiled from public chemistry databases.
| CAS Registry Number | 186038-82-4 |
|---|---|
| PubChem CID | 11666030 |
| Molecular formula | C13H21NO4 |
| IUPAC name | diethyl 2-(1-cyano-3-methylbutyl)propanedioate |
| UNII (FDA) | NS00026089 |
| Molecular Weight | 255.31 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 255.14705815 |
| Monoisotopic Mass | 255.14705815 |
| Topological Polar Surface Area | 76.4 |
| Heavy Atom Count | 18 |
DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE; 1,3-DIETHYL 2-(1-CYANO-3-METHYLBUTYL)PROPANEDIOATE; RefChem:586988; 606-069-9; 186038-82-4; Diethyl 2-(1-cyano-3-methylbutyl)malonate; diethyl 2-(1-cyano-3-methylbutyl)propanedioate; Pregabalin Impurity 185; Diethyl (1-cyano-3-methylbutyl)propanedioate; Diethyl 2-(1-cyano-3-methyl-butyl)propanedioate; SCHEMBL261165; 1-cyano-3-methyl butylpropanedioic acid diethyl ester; DTXSID20470286; PZGIWBPMOSUKEV-UHFFFAOYSA-N; AKOS022172176; SS-5318
| Reported hazard statements | H320 (100%), H411 (100%) |
|---|
H320 (100%): Causes eye irritation [Warning Serious eye damage/eye irritation]
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
DIETHYL (1-CYANO-3-METHYLBUTYL)MALONATE · CAS 186038-82-4 · C13H21NO4. UNII NS00026089.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (1-氰基-3-甲基丁基)丙二酸二乙酯