Products Categories
CAS No.: | 261165-06-4 |
---|---|
Name: | Boc-4-Bromo-D-beta-phenylalanine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H18BrNO4 |
Molecular Weight: | 344.205 |
Synonyms: | (S)-3-(4-BROMO-PHENYL)-3-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID;(S)-3-T-BUTOXYCARBONYL-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACID;(S)-3-(BOC-AMINO)-3-(4-BROMOPHENYL)PROPIONIC ACID;(S)-BOC-4-BROMO-BETA-PHE-OH;(S)-N-(TERT-BUTOXYCARBONYL)-3-AMINO-3-(4-BROMOPHENYL)PROPANOIC ACID;(S)-N-(TERT-BUTOXYCARBONYL)-3-AMINO-3-(4-BROMOPHENYL)PROPIONIC ACID;(S)-N-BOC-3-AMINO-3-(4-BROMOPHENYL)PROPANOIC ACID;(S)-N-BOC-BETA-(4-BROMOPHENYL)-BETA-ALANINE |
Density: | 1.403g/cm3 |
Melting Point: | 143.8 °C |
Boiling Point: | 479.1°C at 760mmHg |
Flash Point: | 243.6°C |
Appearance: | white to off-white powder |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 3.88050 |
What can I do for you?
Get Best Price
The Boc-4-Bromo-D-beta-phenylalanine, with CAS registry number 261165-06-4, belongs to the following product categories: (1)3-Amino-3-phenylpropionic Acid Analogs; (2)3-Amino-3-phenylpropanoic Acid Analogs; (3)B-Amino. Its systematic name and its IUPAC name are the same, which is (3S)-3-(4-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid. When use this chemical, avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 10.71; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 76.46; (8)ACD/KOC (pH 7.4): 1.33; (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: 1.55; (14)Molar Refractivity: 78.19 cm3; (15)Molar Volume: 245.1 cm3; (16)Polarizability: 30.99×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Enthalpy of Vaporization: 78.31 kJ/mol; (19)Vapour Pressure: 5.45E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: ZAMLGGRVTAXBHI-NSHDSACABB
(4)Std. InChI: InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(5)Std. InChIKey: ZAMLGGRVTAXBHI-NSHDSACASA-N