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N-Boc-L-arginine

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Name

N-Boc-L-arginine

EINECS 237-295-2
CAS No. 13726-76-6 Density 1.283 g/cm3
PSA 137.53000 LogP 1.80940
Solubility N/A Melting Point 117-119°C
Formula C11H22N4O4 Boiling Point N/A
Molecular Weight 274.32 Flash Point >230°F
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 13726-76-6 (BOC-ARG-OH) Hazard Symbols N/A
Synonyms

Arginine,N2-carboxy-, N2-tert-butyl ester, L- (8CI);N-tert-Butoxycarbonyl-L-arginine;N-a-Butyloxycarbonyl-L-arginine;N2-tert-Butoxycarbonyl-L-arginine;

Article Data 16

N-Boc-L-arginine Specification

The N-Boc-L-arginine, with the cas registry number 13726-76-6 and EINECS registry number 237-295-2, has the systematic name of N2-(tert-butoxycarbonyl)-N5-(diaminomethylidene)-L-ornithine. And the molecular formula of the chemical is C11H22N4O4. While dealing with this chemical, you should be cautious not to breathe dust and avoid to contact with skin and eyes. What's more, it should be store at 0°C.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -2.01; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 74.68 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 67.09 cm3; (15)Molar Volume: 213.8 cm3; (16)Polarizability: 26.6×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.28 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC/N=C(\N)N
(2)InChI: InChI=1/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1
(3)InChIKey: HSQIYOPBCOPMSS-ZETCQYMHBN

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