Boc-D-valine amide supplier | CasNO.70717-76-9

Name
BOC-D-VAL-NH2
EINECS
CAS No. 70717-76-9
Article Data13
CAS DataBase
Density 1.042 g/cm³
Solubility at 25 deg C (mg/L): 1.004e+004 in water
Melting Point 156-157 °C
Formula C₁₀H₂₀N₂O₃
Boiling Point 361.7 °C at 760 mmHg
Molecular Weight 216.2774
Flash Point 172.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, [1-(aminocarbonyl)-2-methylpropyl]-, 1,1-dimethylethyl ester, (R)-;N-tert-Butoxycarbonyl-D-valine amide;
PSA 81.42000
LogP 2.11220

Boc-D-valine amide Specification

The Boc-D-valine amide, with the CAS registry number 70717-76-9, is also known as N-tert-Butoxycarbonyl-D-valine amide and Boc-D-Val-NH2. This chemical's molecular formula is C₁₀H₂₀N₂O₃ and formula weight is 216.28. What's more, its systematic name is called N2-(tert-Butoxycarbonyl)-D-valinamide.

Physical properties about this chemical are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.42 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 57.195 cm³; (15)Molar Volume: 207.5 cm³; (16)Surface Tension: 35.544 dyne/cm; (17)Density: 1.042 g/cm³; (18)Flash Point: 172.57 °C; (19)Enthalpy of Vaporization: 60.759 kJ/mol; (20)Boiling Point: 361.732 °C at 760 mmHg; (21)Vapour Pressure: 0 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)N)C(C)C
(2)InChI: InChI=1/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)/t7-/m1/s1
(3)InChIKey: NZSZYROZOXUFSG-SSDOTTSWBE

Product Name

BOC-D-VAL-NH2

Boc-D-valine amide Specification

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