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CAS No.: | 35150-08-4 |
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Name: | BOC-VAL-NH2 |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C10H20N2O3 |
Molecular Weight: | 216.28 |
Synonyms: | Carbamic acid, [1-(aminocarbonyl)-2-methylpropyl]-, 1,1-dimethylethyl ester,(S)-;N-(tert-Butoxycarbonyl)-L-valine amide; |
Density: | 1.042 g/cm3 |
Melting Point: | 156-157 °C(Solv: methanol (67-56-1)) |
Boiling Point: | 361.7 °C at 760 mmHg |
Flash Point: | 172.6 °C |
PSA: | 81.42000 |
LogP: | 2.11220 |
The Carbamic acid,N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-, 1,1-dimethylethyl ester with the CAS number 35150-08-4 is also called Carbamic acid, [1-(aminocarbonyl)-2-methylpropyl]-, 1,1-dimethylethyl ester,(S)-. The systematic name is N2-(tert-butoxycarbonyl)-L-valinamide. Its molecular formula is C10H20N2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Carbamic acid,N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.03; (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): 3.57; (6)ACD/BCF (pH 7.4): 3.57; (7)ACD/KOC (pH 5.5): 86.62; (8)ACD/KOC (pH 7.4): 86.6; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 57.19 cm3; (15)Molar Volume: 207.4 cm3; (16)Polarizability: 22.67×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Enthalpy of Vaporization: 60.76 kJ/mol; (19)Vapour Pressure: 2.03×10-5 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-/m0/s1
(3)InChIKey: NZSZYROZOXUFSG-ZETCQYMHBG