Ethyl L-valinate hydrochloride supplier

Name
Ethyl L-valinate hydrochloride
EINECS 241-580-7
CAS No. 17609-47-1
Article Data30
CAS DataBase
Density
Solubility Soluble in water
Melting Point 102-105 °C(lit.)
Formula C₇H₁₅NO₂^.HCl
Boiling Point 169.2 °C at 760 mmHg
Molecular Weight 181.663
Flash Point 42.7 °C
Transport Information
Appearance white crystalline powder
Safety 24/25
Risk Codes R24/25
Molecular Structure
Hazard Symbols Xi
Synonyms Valine, ethyl ester, hydrochloride, L- (7CI,8CI);(S)-Valine ethyl ester hydrochloride;Valineethyl ester hydrochloride;H-Val-OEt·HCl;L-Valine ethyl ester hydrochloride;Ethyl 2-amino-3-methylbutanoate hydrochloride;
PSA 52.32000
LogP 2.03510

Ethyl L-valinate hydrochloride Specification

The Ethyl L-valinate hydrochloride, with the CAS registry number 17609-47-1, is also known as Ethyl 2-amino-3-methylbutanoate hydrochloride. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Valine [Val, V]; Amino hydrochloride; Peptide Synthesis; Valine. Its EINECS number is 241-580-7. This chemical's molecular formula is C₇H₁₅NO₂^.HCl and molecular weight is 181.66. What's more, its systematic name is Ethyl L-valinate hydrochloride (1:1). When using it, you must avoid contact with skin and eyes. This chemical should be sealed and stored in a cool and dry place.

Physical properties of Ethyl L-valinate hydrochloride are: (1)ACD/LogP: 0.925; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 12.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 42.7 °C; (14)Enthalpy of Vaporization: 40.56 kJ/mol; (15)Boiling Point: 169.2 °C at 760 mmHg; (16)Vapour Pressure: 1.56 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCC)[C@@H](N)C(C)C
(2)Std. InChI: InChI=1S/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1
(3)Std. InChIKey: PQGVTLQEKCJXKF-RGMNGODLSA-N

Product Name

Ethyl L-valinate hydrochloride

Ethyl L-valinate hydrochloride Specification

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