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65671-53-6

Basic Information
CAS No.: 65671-53-6
Name: BOC-LYS(ME)2-OH
Article Data: 4
Molecular Structure:
Molecular Structure of 65671-53-6 (BOC-LYS(ME)2-OH)
Formula: C13H26N2O4
Molecular Weight: 274.36
Synonyms: BOC-Lys(Me)2-OH;
Density: 1.064 g/cm3
Boiling Point: 413.3 °C at 760 mmHg
Flash Point: 203.7 °C
PSA: 78.87000
LogP: 2.08710
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Specification

The (S)-2-(tert-Butoxycarbonylamino)-6-(dimethylamino)hexanoic acid, with the CAS registry number 65671-53-6, is also known as BOC-Lys(Me)2-OH. This chemical's molecular formula is C13H26N2O4 and molecular weight is 274.36. What's more, its systematic name is (2S)-2-[(tert-Butoxycarbonyl)amino]-6-(dimethylammonio)hexanoate. In addition, it must be stored at -15 °C.

Physical properties about (S)-2-(tert-Butoxycarbonylamino)-6-(dimethylamino)hexanoic acid are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -1.03; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 72.85 cm3; (15)Molar Volume: 257.7 cm3; (16)Polarizability: 28.88×10-24 cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.064 g/cm3; (19)Flash Point: 203.7 °C; (20)Enthalpy of Vaporization: 73.07 kJ/mol; (21)Boiling Point: 413.3 °C at 760 mmHg; (22)Vapour Pressure: 5.48E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C([O-])=O)CCCC[NH+](C)C
(2) InChI: InChI=1/C13H26N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)8-6-7-9-15(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)/t10-/m0/s1
(3) InChIKey: KPXRFYHPDPDJSY-JTQLQIEIBF