Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl L-valinate hydrochloride |
EINECS | 241-580-7 |
CAS No. | 17609-47-1 | Density | N/A |
PSA | 52.32000 | LogP | 2.03510 |
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 | N/A | 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; |
Article Data | 30 |
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