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CAS No.: | 6404-28-0 |
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Name: | BOC-L-NORLEUCINE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C11H21NO4 |
Molecular Weight: | 231.292 |
Synonyms: | Norleucine,N-carboxy-, N-tert-butyl ester (7CI);Norleucine, N-carboxy-, N-tert-butylester, L- (8CI);BOC-L-norleucine;BOC-norleucine;N-(tert-Butoxycarbonyl)norleucine;N-Boc-L-Norleucine;N-tert-Butoxycarbonyl-L-norleucine;NSC 334315;Boc-Nle-OH; |
Density: | 1.063 g/cm3 |
Boiling Point: | 362.1 °C at 760 mmHg |
Flash Point: | 172.8 °C |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 2.54540 |
The L-Norleucine,N-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 6404-28-0, is also known as (S)-2-(Boc-amino)caproic acid. This chemical's molecular formula is C11H21NO4 and molecular weight is 231.28874. What's more, its IUPAC name is 2-[(2-Methylpropan-2-yl)oxycarbonylamino]hexanoic acid and systematic name is called N-(tert-Butoxycarbonyl)-L-norleucine.
Physical properties about L-Norleucine,N-[(1,1-dimethylethoxy)carbonyl]- are: (1) ACD/LogP: 2.70; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.78; (4) ACD/LogD (pH 7.4): -0.78; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 8.57; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 55.84 Å2; (13) Index of Refraction: 1.462; (14) Molar Refractivity: 59.86 cm3; (15) Molar Volume: 217.4 cm3; (16) Surface Tension: 37.1 dyne/cm; (17) Density: 1.063 g/cm3; (18) Flash Point: 172.8 °C; (19) Enthalpy of Vaporization: 66.79 kJ/mol; (20) Boiling Point: 362.1 °C at 760 mmHg; (21) Vapour Pressure: 3.14E-06 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
(2) InChI: InChI=1/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
(3) InChIKey: ZIOCIQJXEKFHJO-QMMMGPOBBG