Boc-β-Homoleu-OH supplier | CasNO.132549-43-0

Name
BOC-L-BETA-HOMOLEUCINE
EINECS 200-528-9
CAS No. 132549-43-0
Article Data14
CAS DataBase
Density 1.047 g/cm³
Solubility
Melting Point 53-55℃
Formula C₁₂H₂₃NO₄
Boiling Point 374.269 °C at 760 mmHg
Molecular Weight 245.319
Flash Point 180.152 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (S)-;(3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-methylhexanoicacid;(S)-3-[(tert-Butoxycarbonyl)amino]-5-methylhexanoic acid;N-(tert-Butoxycarbonyl)-L-b-homoleucine;
PSA 75.63000
LogP 2.79140

Boc-β-Homoleu-OH Specification

The Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-, with CAS registry number 132549-43-0, belongs to the following product categories: (1)β-Homo Amino Acids; (2)Beta amino acids. It has the systematic name of (3S)-3-[(tert-butoxycarbonyl)amino]-5-methylhexanoic acid. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₁₂H₂₃NO₄.

Physical properties of Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 3.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 41.41; (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: 64.46 cm³; (15)Molar Volume: 234.3 cm³; (16)Polarizability: 25.55×10^-24cm³; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.046 g/cm³; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 68.26 kJ/mol; (21)Boiling Point: 374.3 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-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](CC(=O)O)CC(C)C
(2)InChI: InChI=1/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
(3)InChIKey: XRVAMBSTOWHUMM-VIFPVBQEBX
(4)Std. InChI: InChI=1S/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
(5)Std. InChIKey: XRVAMBSTOWHUMM-VIFPVBQESA-N

Product Name

BOC-L-BETA-HOMOLEUCINE

Boc-β-Homoleu-OH Specification

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