(S)-N-Boc-allylglycine supplier

Name
(S)-N-Boc-allylglycine
EINECS
CAS No. 90600-20-7
Article Data58
CAS DataBase
Density 1.097 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇NO₄
Boiling Point 334.3 °C at 760 mmHg
Molecular Weight 215.249
Flash Point 156 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(tert-Butoxycarbonyl)-(S)-allylglycine;4-Pentenoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;(S)-2-[(tert-Butoxycarbonyl)amino]-4-pentenoic acid;N-tert-Butoxycarbonyl-L-allylglycine;3-butenoic acid, 2-[(carboxymethyl)amino]-, 1-(1,1-dimethylethyl) ester, (2S)-;N-[(2S)-1-tert-Butoxy-1-oxobut-3-en-2-yl]glycine;
PSA
LogP

(S)-N-Boc-allylglycine Specification

The (S)-N-Boc-allylglycine, with the CAS registry number 90600-20-7, has the systematic name of 3-butenoic acid, 2-[(carboxymethyl)amino]-, 1-(1,1-dimethylethyl) ester, (2S)-. It is a kind of yellow oil or paste, and belongs to the product category of α-amino. And the molecular formula of this chemical is C₁₀H₁₇NO₄. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of (S)-N-Boc-allylglycine are as following: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.82; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 75.63 Å²; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 54.96 cm³; (14)Molar Volume: 196 cm³; (15)Polarizability: 21.78×10^-24cm³; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.097 g/cm³; (18)Flash Point: 156 °C; (19)Enthalpy of Vaporization: 63.44 kJ/mol; (20)Boiling Point: 334.3 °C at 760 mmHg; (21)Vapour Pressure: 2.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)[C@H](C=C)NCC(=O)O
(2)InChI: InChI=1/C10H17NO4/c1-5-7(11-6-8(12)13)9(14)15-10(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,12,13)/t7-/m0/s1
(3)InChIKey: JRQNPAMIVIVXET-ZETCQYMHBD

Product Name

(S)-N-Boc-allylglycine

(S)-N-Boc-allylglycine Specification

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