3-Carbamoymethyl-5-methylhexanoic acid (CAS 181289-15-6) — formula C9H17NO3, molecular weight 187.24; category organic chemicals.
| CAS Number | 181289-15-6 |
|---|---|
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.24 |
| LogP | 0.7 |
| Category | Organic Chemicals |
3-Carbamoymethyl-5-methylhexanoic acid is a carbon-based organic compound with CAS registry number 181289-15-6 and molecular formula C9H17NO3 (molecular weight 187.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 181289-15-6
Its molecular formula C9H17NO3 comprises 9 C, 17 H, 1 N, 3 O atoms.
Also known as: 3-Carbamoymethyl-5-methylhexanoic acid · 3-氨基甲酰基甲基-5-甲基己酸
Category: organic chemicals
The CAS registry number of 3-Carbamoymethyl-5-methylhexanoic acid is 181289-15-6.
Molecular formula C9H17NO3, molecular weight 187.24.
It is also registered under: 3-Carbamoymethyl-5-methylhexanoic acid, 3-氨基甲酰基甲基-5-甲基己酸.
Category: Organic Chemicals.
Independent reference data for 3-Carbamoymethyl-5-methylhexanoic acid (CAS 181289-15-6), compiled from public chemistry databases.
| CAS Registry Number | 181289-15-6 |
|---|---|
| PubChem CID | 10867083 |
| Molecular formula | C9H17NO3 |
| IUPAC name | 3-(2-amino-2-oxoethyl)-5-methylhexanoic acid |
| UNII (FDA) | 95C8TEG55V |
| Molecular Weight | 187.24 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 187.12084340 |
| Monoisotopic Mass | 187.12084340 |
| Topological Polar Surface Area | 80.4 |
| Heavy Atom Count | 13 |
181289-15-6; 3-(Carbamoylmethyl)-5-methylhexanoic acid; RefChem:494523; 605-922-2; 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid; 3-Carbamoymethyl-5-methylhexanoic acid; Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-; MFCD08457698; rac-Pregabalin Impurity III; Pregabalin Impurity 10; (+/-)-3-(Carbamoylmethyl)-5-methylhexanoic acid; Pregabalin Impurity 76; 3-?(2-?Amino-?2-?oxoethyl)?-?5-?methylhexanoic Acid; Pregabalin USP RC Isobutylglutarmonoamide; 3-(2-Amino-2-oxoethyl)-5-methylhexanoicacid; 3-(2-amino-2-oxo-ethyl)-5-methyl-hexanoic acid
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-Carbamoymethyl-5-methylhexanoic acid · CAS 181289-15-6 · C9H17NO3. UNII 95C8TEG55V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氨基甲酰基甲基-5-甲基己酸