D-Alanine tert-butyl ester hydrochloride

Base Information

• Chemical Name: D-Alanine tert-butyl ester hydrochloride
• CAS No.: 59531-86-1
• Molecular Formula: C₇H₁₅NO₂*ClH
• Molecular Weight: 181.663
• Hs Code.: 29224999
• DSSTox Substance ID: DTXSID00583520
• Mol file: 59531-86-1.mol

Synonyms:59531-86-1;D-Alanine tert-butyl ester hydrochloride;H-D-Ala-OtBu.HCl;(R)-tert-Butyl 2-aminopropanoate hydrochloride;(R)-2-Aminopropionic Acid tert-Butyl Ester Hydrochloride;tert-butyl (2R)-2-aminopropanoate hydrochloride;R-ALANINE T-BUTYL ESTER HCL;D-Alanine tert-butyl ester, HCl;tert-butyl (2R)-2-aminopropanoate;hydrochloride;tert-Butyl D-alaninate hydrochloride;D-alanine t-butyl ester hydrochloride;MFCD00077087;D-Alanine tert-butyl ester HCl;H-D-Ala-OtBu . HCl;D-Alanine, 1,1-dimethylethyl ester, hydrochloride;H-D-Ala-otBu-HCl;H-D-Ala-OtBu. HCl;SCHEMBL320242;DTXSID00583520;WIQIWPPQGWGVHD-NUBCRITNSA-N;(R)-tert-butyl 2-aminopropanoate HCl;AKOS016842437;CS-W017142;DS-1750;HY-W016426;D-Alanine-tert-butyl ester hydrochloride;(R)-alanine tert-butyl ester hydrochloride;AM20100454;EN300-108905;tert-Butyl (R)-2-Aminopropionate Hydrochloride;A847868;tert-Butyl D-alaninate--hydrogen chloride (1/1);J-300013;Q-101562;2-Amino-propionic acid tert-butyl ester;D-Alanine tert-butyl ester hydrochloride, >=99.0% (AT)

Chemical Property of D-Alanine tert-butyl ester hydrochloride

Chemical Property:

• Vapor Pressure: 0.195mmHg at 25°C
• Melting Point: 170-175 °C
• Refractive Index: -1.4 ° (C=2, EtOH)
• Boiling Point: 206.8 °C at 760 mmHg
• Flash Point: 78.9 °C
• PSA: 52.32000
• LogP: 2.17760
• Storage Temp.: -15°C
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

D-Alanine tert-butyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC(C)(C)C)N.Cl
• Isomeric SMILES: C[C@H](C(=O)OC(C)(C)C)N.Cl
• Uses: D-Alanine tert-butyl ester is a protected form of D-Alanine (A480995). D-Alanine is an amino acid that is commonly found in bacteria, such as Streptococcus faecalis. It is essential for the biosynthesis of peptidoglycan crosslinking sub-units that are used for bacterial cell walls. D-Alanine is also known to cause cytotoxic oxidative stress in brain tumour cells.