DL-leucine

HCID 857CAS 328-38-1
Substructure searchFind similar structures

Basic information

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 acid2-amino-4-methyl-pentanoic acid(RS)-Leucine25322-63-8(+-)-Leucine( inverted exclamation markA)-Leucine

Database identifiers

CAS
328-38-1、328-39-2、61-90-5
PubChem CID
857
DTXSID
DTXSID00859050
ChEMBL
CHEMBL46575
ChEBI
CHEBI:25017
UNII
1QSS9D5DR6
EC Number
206-328-2
Nikkaji
J1.285H

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

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

Safety & regulation

GHS classification

GHS Classification · 3 items

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 · 2 items

Chemical: DL-Leucine

Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22295

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

Chemistry & industry

Applications

UsesD-Leucine is used in the formation of sterols. It is also used as a selectable marker.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
黄冈森阳化工有限公司0713-8205211 17671088222 · [email protected]

Additional notes

DefinitionChEBI: The D-enantiomer of leucine.

Related reactions

75 records
New reaction record

Linked notes

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