2-Methyl-2-propanyl isoleucinate hydrochloride (1:1)

Basic Information

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CAS Number

69320-89-4

Molecular Formula

C10H22ClNO2

Molecular Weight

223.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

160°C

Boiling Point

222.4°C at 760 mmHg

Flash Point

90.3°C

Solubility

Soluble in 50 mg/ml methanol.

Refractive Index

15 ° (C=1, H2O)

Specific Rotation

29.3° (c=1, MeOH)

SMILES

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CCC(C)C(C(=O)OC(C)(C)C)N.Cl

InChI

InChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1

InChIKey

IFRYMHOZFAPYPJ-WSZWBAFRSA-N

LogP

2.1232999999999995

Topological Polar Surface Area

52.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

172

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EN300-117965
SCHEMBL919003
A836429
(2S,3S)-tert-butyl 2-amino-3-methylpentanoate hydrochloride
L-Isoleucine t-butyl ester hydrochloride (H-L-Ile-OtBu.HCl)
119483-46-4
tert-Butyl isoleucinate--hydrogen chloride (1/1)
L-Isoleucine tertbutyl ester hydrochloride
AKOS015844546
L-Isoleucine t-butyl ester hydrochloride
HY-W009734
(2S,3S)-TERT-BUTYL 2-AMINO-3-METHYLPENTANOATE HCL
L-Isoleucine t-butyl ester HCl
69320-89-4
tert-butyl (2S)-2-amino-3-methyl-pentanoate hydrochloride;L-Isoleucine t-butyl ester HCl
AKOS015969123
tert-Butyl L-isoleucinate hydrochloride
H-L-Ile-OtBu Hydrochloride
AM81855
CS-W010450
isoleucine tert-butyl ester hydrochloride
J-521649
H-Ile-OtBu.HCl
L-Isoleucine, 1,1-dimethylethyl ester, hydrochloride
H-Ile-Otbu Hydrochloride
A804296
L-iso-leucine tert-butyl ester hydrochloride
MFCD00058015
FD21804
DTXSID00922990
I0685

MDL Number

MFCD00058015

Customs Code

2922499990

FAQ

What is 2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) (CAS: 69320-89-4)?

2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) is a chemical compound with the CAS number 69320-89-4. It is a salt formed from the combination of 2-methyl-2-propanol (isobutanol) and isoleucine, with a 1:1 molar ratio. This compound is known for its stability and is commonly used in chemical synthesis and research applications. Its molecular formula is C9H19NO2Cl.

What are the main uses of 2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) (CAS: 69320-89-4)?

2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of various organic compounds, including amino acid derivatives and chiral catalysts. Additionally, it may be used in industrial and laboratory settings for chemical reactions requiring specific functional groups.

Is 2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) (CAS: 69320-89-4) safe?

2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) is generally considered safe when handled properly. However, it is important to follow standard safety protocols, such as wearing protective gloves, goggles, and a lab coat. It should be kept away from moisture and stored in a well-ventilated area. Safety data sheets (SDS) recommend avoiding prolonged skin contact and inhalation of vapors to ensure safe handling.

How should 2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) (CAS: 69320-89-4) be stored?

2-Methyl-2-propanyl isoleucinate hydrochloride (1:1) should be stored in a cool, dry, and dark place, preferably at 25°C. It should be kept in a sealed container to prevent moisture exposure and maintain stability. Avoid exposure to light and ensure it is stored in a well-ventilated area to prevent any potential degradation or safety risks.