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O-tert-Butyl-L-threonine methyl ester hydrochloride

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Name

O-tert-Butyl-L-threonine methyl ester hydrochloride

EINECS N/A
CAS No. 71989-43-0 Density N/A
PSA 61.55000 LogP 2.19260
Solubility N/A Melting Point N/A
Formula C9H19NO3.HCl Boiling Point 289.8 °C at 760 mmHg
Molecular Weight 225.716 Flash Point 129.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71989-43-0 (H-THR(TBU)-OME HCL) Hazard Symbols N/A
Synonyms

Butyricacid, 2-amino-3-tert-butoxy-, methyl ester, hydrochloride (7CI);L-Threonine,O-(1,1-dimethylethyl)-, methyl ester, hydrochloride (9CI);O-tert-Butyl-L-threonine methyl ester hydrochloride;

 

O-tert-Butyl-L-threonine methyl ester hydrochloride Specification

The O-tert-Butyl-L-threonine methyl ester hydrochloride is an organic compound with the formula C9H19NO3.HCl. The systematic name of this product is methyl O-tert-butyl-L-threoninate hydrochloride. With the CAS registry number 71989-43-0, it is also named as (2S,3R)-methyl 2-amino-3-tert-butoxybutanoate hydrochloride; H-THR(TBU)-OME HCL; Threonine(TBU)-ome HCl. The product's categories are amino acids, amino acid derivatives, peptide synthesis and threonine. This chemical must be stored at normal temperature and avoid direct sunshine. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Flash Point: 129.1 °C; (7)Enthalpy of Vaporization: 53.97 kJ/mol; (8)Boiling Point: 289.8 °C at 760 mmHg; (9)Vapour Pressure: 0.00163 mmHg at 25°C; (10)WGK Germany: 3.

People can use the following data to convert to the molecule structure. 
1. SMILES: Cl.O=C(OC)[C@@H](N)[C@H](OC(C)(C)C)C; 
2. InChI: InChI=1/C9H19NO3.ClH/c1-6(13-9(2,3)4)7(10)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t6-,7+;/m1./s1; 
3. InChIKey: SDHKEUUZUMQSAD-HHQFNNIRBU.

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