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N-Boc-N'-tosyl-L-arginine

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Name

N-Boc-N'-tosyl-L-arginine

EINECS 237-549-2
CAS No. 13836-37-8 Density 1.31 g/cm3
PSA 166.06000 LogP 3.90900
Solubility N/A Melting Point ~90 °C (dec.)
Formula C18H28N4O6S Boiling Point N/A
Molecular Weight 428.51 Flash Point N/A
Transport Information N/A Appearance White solid.
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 13836-37-8 (Boc-Arg(Tos)-OH) Hazard Symbols N/A
Synonyms

Ornithine,N2-carboxy-N5-[(p-tolylsulfonyl)amidino]-, N2-tert-butyl ester, L- (7CI,8CI);N2-tert-Butoxycarbonyl-NG-tosyl-L-arginine;NSC 164058;Boc-Arg(Tos)-OH;

Article Data 10

N-Boc-N'-tosyl-L-arginine Specification

The Boc-Arg(Tos)-OH with cas registry number of 13836-37-8 also has other registry numbers which include 111155-39-6, 128625-53-6, 129009-89-8, 158328-87-1, 54784-62-2, 62526-85-6, 62720-22-3. Its EINECS registry number is 237-549-2. This chemical belongs to the categories of Amino Acid Derivatives; Amino Acids; Arginine [Arg, R]; Boc-Amino Acids and Derivative; Boc-Amino acid series. It has an IUPAC name which is called (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 107.52 cm3; (14)Molar Volume: 325.1 cm3; (15)Surface Tension: 49.6 dyne/cm; (16)Density: 1.31 g/cm3.

When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, avoid contact with skin and eyes. Do not breathe dust. Make sure store it at the temperature of -15°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t14-/m0/s1;
(2)Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNC(=N)NS(=O)(=O)c1ccc(cc1)C

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