CAS No.2645-08-1,Ethyl N-benzoyl-L-argininate hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2645-08-1
Name:	Ethyl N-benzoyl-L-argininate hydrochloride

Formula:	C₁₅H₂₃ClN₄O₃
Molecular Weight:	342.826
Synonyms:	Arginine,N2-benzoyl-, ethyl ester, monohydrochloride, L- (8CI);L-Arginine, N2-benzoyl-,ethyl ester, monohydrochloride (9CI);Ethyl N-benzoyl-a-arginine hydrochloride;N-Benzoyl-L-arginine ethyl ester hydrochloride;N-a-Benzoyl-L-arginine ethyl ester hydrochloride;NSC86159;a-N-Benzoyl-L-arginine ethyl esterhydrochloride;
EINECS:	220-157-0
Density:	1.23g/cm3
Melting Point:	128-130 °C
Boiling Point:	548.6 °C at 760 mmHg
Flash Point:	285.6 °C
Solubility:	Slightly soluble in water
Appearance:	Crystalline
Hazard Symbols:	Xi,Xn
Risk Codes:	20/21/22-36/37/38
Safety:	24/25-26-36
PSA:	117.30000
LogP:	2.99520

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Specification

This chemical is called Ethyl N2-benzoyl-L-argininate monohydrochloride, and its CAS registry number is 2645-08-1. With the molecular formula of C₁₅H₂₃ClN₄O₃, its product categories are Amino Acids Derivatives; Arginine [Arg, R]; Amino Acid Ethyl Esters; Amino Acids (C-Protected); Biochemistry; Cbz-Amino Acid Series. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Ethyl N2-benzoyl-L-argininate monohydrochloride can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): -0.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.45 Å²; (13)Flash Point: 285.6 °C; (14)Enthalpy of Vaporization: 84.37 kJ/mol; (15)Boiling Point: 548.6 °C at 760 mmHg; (16)Vapour Pressure: 2.29E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@H](C(=O)OCC)CCC/N=C(\N)N)c1ccccc1.Cl
2.InChI: InChI=1/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/t12-;/m0./s1
3.InChIKey: HIXDELXKSSLIKB-YDALLXLXBJ