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200124-22-7

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Basic Information
CAS No.: 200124-22-7
Name: BOC-ARG(PBF)-OH
Molecular Structure:
Molecular Structure of 200124-22-7 (BOC-ARG(PBF)-OH)
Formula: C24H38 N4 O7 S
Molecular Weight: 526.654
Synonyms: Boc-Arg(Pbf)-OH
Density: 1.31g/cm3
Solubility: Soluble in water or 1% acetic acid
Appearance: White powder
Safety: S22-24/25
PSA: 175.29000
LogP: 5.23930
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Chemistry

Systematic Name: (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylene]amino]-2-(tert-butoxycarbonylamino)pentanoic acid 
Molecular Formula: C24H38N4O7S
Molar mass: 526.65 g/mol
Density: 1.31 g/cm3
Index of Refraction: 1.581 
Molar Refractivity: 133.8 cm3
Molar Volume: 401.2 cm3
Surface Tension: 45.8 dyne/cm
Storage temp: -15 °C
Structure of Boc-Arg(Pbf)-OH (CAS NO.200124-22-7):
           
XLogP3-AA: 3
H-Bond Donor: 4
H-Bond Acceptor:10
SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC/N=C(\N)NS(=O)(=O)c2c(c1c(OC(C1)(C)C)c(c2C)C)C 
InChI: InChI=1/C24H38N4O7S/c1-13-14(2)19(15(3)16-12-24(7,8)34-18(13)16)36(32,33)28-21(25)26-11-9-10-17(20(29)30)27-22(31)35-23(4,5)6/h17H,9-12H2,1-8H3,(H,27,31)(H,29,30)(H3,25,26,28)/t17-/m0/s1 
InChIKey: CVFXPOKENLGCID-KRWDZBQOBH 
Std. InChI: InChI=1S/C24H38N4O7S/c1-13-14(2)19(15(3)16-12-24(7,8)34-18(13)16)36(32,33)28-21(25)26-11-9-10-17(20(29)30)27-22(31)35-23(4,5)6/h17H,9-12H2,1-8H3,(H,27,31)(H,29,30)(H3,25,26,28)/t17-/m0/s1 
Std. InChIKey: CVFXPOKENLGCID-KRWDZBQOSA-N
Product categorie: Arginine [Arg, R]

Safety Profile

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 Boc-Arg(Pbf)-OH (CAS NO.200124-22-7) also can be called for N-Boc-N'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sufonyl)-L-arginine , Nalpha-Boc-Nomega-(2,2,4,6,7-pentamethyl-dihydrobenzofuran-5-sulfonyl)-L-arginine ,and, Nalpha-Boc-Nomega-Pbf-L-arginine .