CAS 2743-40-0 Ethyl L-leucinate hydrochloride (HCID 158178)

Overview

See also: L-Leucine ethyl ester (annotation moved to).

Names & identifiers

Preferred name: Ethyl L-leucinate hydrochloride
IUPAC: ethyl 2-amino-4-methylpentanoate
English name: Ethyl L-leucinate hydrochloride
Molecular formula: C8H18ClNO2
Molecular weight: 195.69

Names & synonyms

Ethyl L-leucinate HClAI3-28816EINECS 220-375-6L-Leucine, ethyl ester, hydrochlorideNSC 401319RefChem:596240220-375-6Ethyl L-leucinate hydrochlorideEthyl 2-amino-4-methylpentanoate2899-43-6MFCD00987966Ethyl 2-amino-4-methylpentanoate (H-DL-Leu-OEt)

Show more names

H-Leu-OEtL-LEUCINE ETHYL ESTER HYDROCHLORIDEeucine ethyLH-LEU-OET·HCLH-LEU-OET HCLL-Leu-OEt.HCLH-L-Leu-OEt*HClLEUCINE-OET HCL

leucine, ethyl esterL-Leucine, ethyl esterLeucine, ethyl ester, L-Leucine, ethyl ester, dl-Ethyl 2-amino-4-methylpentanoate #dl-leucine ethyl ester1-Methylbutyl trifluoroacetateSCHEMBL196637

Database identifiers

CAS: 2743-40-0
PubChem CID: 158178
EC Number: 220-375-6
Nikkaji: J2.268.912F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 123

Physicochemical properties

Melting point: 134 · 134-136 °C
refractive index: 19 ° · 19 ° (C=5, EtOH)
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
color: White
optical activity: 20 · [α]20/D +18.0±1°, c = 5% in ethanol
Water Solubility: Soluble in water.
BRN: 3994312 · 3994312
InChI: InChI=1/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/s3
InChIKey: NOUDPBCEONUCOV-WMASNCOMNA-N
SMILES: [C@H](N)(CC(C)C)C(=O)OCC.Cl |&1:0,r|
CAS DataBase Reference: 2743 · 2743-40-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P302+P352-P362+P364
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29224999 · 29224999

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationL-Leucine, ethyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29224999
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P280-P302+P352-P362+P364

Chemistry & industry

Applications

UsesL-Leucine ethyl ester hydrochloride is used as an organic chemical synthesis intermediate.

Upstream & downstream products

Downstream products

Ethyl (2S)-2-(([4-(bromomethyl)phenyl]sulfonyl)amino)-4-methylpentanoate (S)-ethyl 2-aMino-4-fluoro-4-Methylpentanoate Ser-Leu

Suppliers100 total

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]

扬州旭达生物科技有限公司15161820588; 15161820588 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Related reactions

14 records

New reaction record

HRID 122211As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 173907As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 203769As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 318809As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319959As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 693412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 694161As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 935138As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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Basic information