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CAS No.: | 21887-64-9 |
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Name: | BOC-ORN-OH |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C10H20N2O4 |
Molecular Weight: | 232.28 |
Synonyms: | Ornithine,N2-carboxy-, N2-tert-butyl ester, L- (8Cl);N2-tert-Butoxycarbonyl-L-ornithine;Na-BOC-L-ornithine;Na-tert-Butoxycarbonyl-L-ornithine;a-N-tert-Butoxycarbonyl-L-ornithine;(2S)-5-ammonio-2-[(tert-butoxycarbonyl)amino]pentanoate;L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-;N2-(tert-Butoxycarbonyl)-L-ornithine; |
Density: | 1.135 g/cm3 |
Melting Point: | 207-208℃ |
Boiling Point: | 398.9 °C at 760 mmHg |
Flash Point: | 195.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37-60-37-24 |
PSA: | 101.65000 |
LogP: | 1.79440 |
The Boc-L-ornithine, with the CAS registry number 21887-64-9, has the systematic name of (2S)-5-ammonio-2-[(tert-butoxycarbonyl)amino]pentanoate. It belongs to the product categories of Unusual Amino Acids and Boc-Amino acid series. And molecular formula of the chemical is C10H20N2O4.
The characteristics of Boc-L-ornithine are as followings: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.68; (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: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 58.77 cm3; (15)Molar Volume: 204.6 cm3; (16)Polarizability: 23.29×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.135 g/cm3; (19)Flash Point: 195.1 °C; (20)Enthalpy of Vaporization: 71.29 kJ/mol; (21)Boiling Point: 398.9 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-07 mmHg at 25°C.
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[NH3+]
(2)InChI: InChI=1/C10H20N2O4/c1-10(2,3)16-9(15)12-7(8(13)14)5-4-6-11/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1
(3)InChIKey: AMPVNPYPOOQUJF-ZETCQYMHBI