DL-leucine
Basic information
- CAS
328-38-1- Standard SMILES
CC(C)CC(N)C(=O)O- InChIKey
ROHFNLRQFUQHCH-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Overview
Leucine is a branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. It has a role as a Daphnia magna metabolite. It is a branched-chain amino acid and an alpha-amino acid. It contains an isobutyl group. It is a conjugate base of a leucinium. It is a conjugate acid of a leucinate.
Names & identifiers
- Preferred name
- DL-leucine
- IUPAC
- 2-amino-4-methylpentanoic acid
- English name
- D-2-Amino-4-methylpentanoic acid
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
DL-LeucineLeucine, DL-EINECS 206-328-21QSS9D5DR6NSC 9252NSC-9252DL-LEUCINE [FCC]AI3-26709DTXSID00859050RefChem:589959DTXCID60206122206-328-2
Show more names
D-LEUCINED-LEUH-D-LEU-OHD-Leu-OH(R)-LEUCINE(R)-2-AMINO-4-METHYLPENTANOIC ACID(R)-2-AMINO-4-METHYLVALERIC ACIDd-leucinNSC 77687D-LeuClne
328-39-2H-DL-Leu-OH2-Amino-4-methylpentanoic acid(RS)-LeucineLeuzin(+-)-Leucine( inverted exclamation markA)-Leucine2-amino-4-methyl-pentanoic acid
Database identifiers
- CAS
328-38-1、328-39-2、61-90-5- PubChem CID
- 857
- DTXSID
DTXSID00859050- ChEMBL
CHEMBL46575- ChEBI
CHEBI:25017- UNII
- 1QSS9D5DR6
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Collision Cross Section131.1 Ų [M+H]+
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- alpha
- -15.45 · -15.45 º (c=4, 6N HCl)
- Boiling point
- 225.8 · 225.8±23.0 °C(Predicted)
- Density
- 1.293 · 1.2930 (estimate)
- refractive index
- -15 ° · -15 ° (C=4, 6mol/L HCl)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Sparingly), Water (Slightly)
- pka
- 2.55 · 2.55±0.21(Predicted)
- form
- Crystalline Powder, Crystals, or Flakes
- color
- White
- optical activity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: DL-Leucine
REACH registered substance: DL-leucine (EC: 206-328-2)
Other Safety InformationIMAP assessments - DL-Leucine: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OH2840000
- hs_code
- 29224995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Applications
UsesD-Leucine is used in the formation of sterols. It is also used as a selectable marker.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: The D-enantiomer of leucine.
Related reactions
75 records
Compound notes
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