(S)-N-Boc-3-aminobutyric acid supplier

Name
(S)-N-Boc-3-aminobutyric acid
EINECS 1312995-182-4
CAS No. 158851-30-0
Density 1.101g/cm³
Solubility Slightly soluble in water.
Melting Point 99 °C
Formula C₉H₁₇NO₄
Boiling Point 339.5 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 159.1 °C
Transport Information
Appearance solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;(3S)-3-[(tert-Butoxycarbonyl)amino]butanoic acid;Boc-b-homoalanine;Boc-β-HoAla-OH;
PSA 75.63000
LogP 1.76520

(S)-N-Boc-3-aminobutyric acid Specification

This chemical is called Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-, and its systematic name is (3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid. With the molecular formula of C₉H₁₇NO₄, its product categories are N-BOC; β-Homo Amino Acids; Unusual Amino Acids; Amino Acid Derivatives. The CAS registry number of this chemical is 158851-30-0. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- can be summarised as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.43; (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: 55.84 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.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

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

Product Name

(S)-N-Boc-3-aminobutyric acid

(S)-N-Boc-3-aminobutyric acid Specification

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