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5-Methyl-3-(nitromethyl)hexanoic Acid Ethyl Ester , CAS No.128013-65-0
a Pregabalin intermediate
Basic Description
Synonyms | starbld0010817 | Hexanoic acid, 5-methyl-3-(nitromethyl)-, ethyl ester | J-005562 | 5-METHYL-3-(NITROMETHYL)HEXANOIC ACID ETHYL ESTER | 5-methyl-3-nitromethyl-hexanoic acid ethyl ester | LOHHVAYLSGONPS-UHFFFAOYSA-N | Ethyl (+/-)-3-nitromethyl-5-methylhexa |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
Product Description | 5-Methyl-3-(nitromethyl)hexanoic Acid Ethyl Ester is a Pregabalin intermediate. |
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Names and Identifiers
IUPAC Name | ethyl 5-methyl-3-(nitromethyl)hexanoate |
INCHI | InChI=1S/C10H19NO4/c1-4-15-10(12)6-9(5-8(2)3)7-11(13)14/h8-9H,4-7H2,1-3H3 |
InChi Key | LOHHVAYLSGONPS-UHFFFAOYSA-N |
Canonical SMILES | CCOC(=O)CC(CC(C)C)C[N+](=O)[O-] |
Isomeric SMILES | CCOC(=O)CC(CC(C)C)C[N+](=O)[O-] |
PubChem CID | 14463328 |
Molecular Weight | 217.26 |
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Chemical and Physical Properties
Solubility | Soluble in Chloroform, Ethyl Acetate and Methanol |
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