(S)-3-(Boc-amino)-2-methylpropionic acid supplier

Name
(S)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID
EINECS
CAS No. 190897-47-3
Article Data5
CAS DataBase
Density 1.102 g/cm³
Solubility
Melting Point 88 °C(lit.)
Formula C₉H₁₇NO₄
Boiling Point 339.502 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 159.125 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (S)-;(S)-3-(tert-Butoxycarbonylamino)-2-methylpropionicacid;(2S)-3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acid;
PSA 75.63000
LogP 1.62270

(S)-3-(Boc-amino)-2-methylpropionic acid Specification

This chemical is called Boc-S-3-Aminoisobutyric acid, and it's also named as (S)-3-(Boc-amino)-2-methylpropionic acid. With the molecular formula of C₉H₁₇NO₄, its product category is N-BOC. The CAS registry number of this chemical is 190897-47-3. Additionally, this chemical should be sealed in the cool and dry place where the temperature is 2-8 °C. Keep it away from oxides.

Other characteristics of the Boc-S-3-Aminoisobutyric acid can be summarised as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.17; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 75.63 Å²; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 50.6 cm³; (14)Molar Volume: 184.4 cm³; (15)Polarizability: 20.06×10^-24cm³; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.101 g/cm³; (18)Flash Point: 159.1 °C; (19)Enthalpy of Vaporization: 64.07 kJ/mol; (20)Boiling Point: 339.5 °C at 760 mmHg; (21)Vapour Pressure: 1.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)NC[C@H](C)C(O)=O
2.InChI: InChI=1/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
3.InChIKey: GDQRNRYMFXDGMS-LURJTMIEBH

Product Name

(S)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID

(S)-3-(Boc-amino)-2-methylpropionic acid Specification

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