(1-Methoxy-3-methyl-1-oxobutan-2-yl)azanium chloride
Basic information
- CAS
5619-05-6- Standard SMILES
COC(=O)C([NH3+])C(C)C.[Cl-]- InChIKey
KUGLDBMQKZTXPW-UHFFFAOYSA-N- Molecular formula
- C6H14ClNO2
- Average molar mass
- 167.63 g/mol
- Monoisotopic mass
- 167.0713064
Overview
See also: Valine, methyl ester, hydrochloride (1:1) (preferred).
Names & identifiers
- Preferred name
- (1-Methoxy-3-methyl-1-oxobutan-2-yl)azanium chloride
- IUPAC
- (1-methoxy-3-methyl-1-oxobutan-2-yl)azanium chloride
- English name
- DL-Valine methyl ester hydrochloride
- Molecular formula
- C6H14ClNO2
- Molecular weight
- 167.63
Names & synonyms
CID 11229005DL-Val-OMe·HClH-DL-VAL-OME HCLTIMTEC-BB SBB003876DL-ValinemethylesterHClsaltDL-Valine wethyl hydrochlorideMETHYL DL-VALINATE HYDROCHLORIDEDL-Valine methyl ester hydrochlorideDL-ic acidmethyl ester hydrochlorideMETHYL-2-AMINO-3-METHYL-BUTANOATE HCLDL-Valine methylesterhydrochloride-99%
Database identifiers
- CAS
5619-05-6- PubChem CID
- 11229005
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 171 °C · 171 °C
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 3912090 · 3912090
- CAS DataBase Reference
- 5619 · 5619-05-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
- HS Code
- 2922.49 · 2922.49.4950
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922.49.4950
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesDL-Valine Methyl Ester is an intermediate used to prepare tetrahydrobenzodiazepinones with anti-HIV activities. It is also used to synthesize [(acylamino)methyl]lambertianic acid derivatives with antitumor activities.
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Compound notes
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