(2S)-4-Bromo-2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid supplier

Name
BOC-L-2-AMINO-4-BROMO-4-PENTENOIC ACID
EINECS
CAS No. 151215-34-8
Article Data3
CAS DataBase
Density 1.407 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆BrNO₄
Boiling Point 396.7 °C at 760 mmHg
Molecular Weight 294.14
Flash Point 193.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pentenoicacid, 4-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;
PSA 75.63000
LogP 2.65390

(2S)-4-Bromo-2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid Specification

This chemical is called (2S)-4-Bromo-2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid, and it's also named as Boc-L-2-amino-4-bromo-4-pentenoic acid. With the molecular formula of C₁₀H₁₆BrNO₄, its molecular weight is 294.14. The CAS registry number of this chemical is 151215-34-8. Additionally, its product category is Unusual Amino Acids.

Other characteristics of the (2S)-4-Bromo-2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid can be summarised as followings: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 62.53 cm³; (15)Molar Volume: 209 cm³; (16)Polarizability: 24.79×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.407 g/cm³; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 71.02 kJ/mol; (21)Boiling Point: 396.7 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-07 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)O)CC(\Br)=C
2.InChI: InChI=1/C10H16BrNO4/c1-6(11)5-7(8(13)14)12-9(15)16-10(2,3)4/h7H,1,5H2,2-4H3,(H,12,15)(H,13,14)/t7-/m0/s1
3.InChIKey: AKUQAUPMGSKZIY-ZETCQYMHBF

Product Name

BOC-L-2-AMINO-4-BROMO-4-PENTENOIC ACID

(2S)-4-Bromo-2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid Specification

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