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L-Arginine,N2-[(1,1-dimethylethoxy)carbonyl]- (13726-76-6)

Identification
Name:L-Arginine,N2-[(1,1-dimethylethoxy)carbonyl]-
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;
CAS:13726-76-6
EINECS: 237-295-2
Molecular Formula: C11H22N4O4
Molecular Weight: 274.32
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
Molecular Structure: (C11H22N4O4) Arginine,N2-carboxy-, N2-tert-butyl ester, L- (8CI);N-tert-Butoxycarbonyl-L-arginine;N-a-Butyloxycar...
Properties
Melting Point: 117-119 °C
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.28g/cm3
Refractive index:1.54
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

Flash Point: °C
Safety Data