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| CAS No.: | 73086-97-2 |
|---|---|
| Name: | L-A-AMINOXY-B-PHENYLPROPIONIC ACID, HYDROBROMIDE |
| Molecular Structure: | |
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| Formula: | C9H12BrNO3 |
| Molecular Weight: | 262.1 |
| Synonyms: | (2R)-2-aminooxy-3-phenyl-propanoic acid hydrobromide;L-α-Aminoxy-β-phenylpropionic acid hydrobromide;L-Aminoxy-3-phenylpropionic acid hydrobromide;benzenepropanoic acid, α-(aminooxy)-, (αR)-, hydrobromide (1:1); |
| EINECS: | 277-280-8 |
| Density: | 1.249 g/cm3 |
| Melting Point: | 165-167°C |
| Boiling Point: | 397.7 °C at 760 mmHg |
| Flash Point: | 194.3 °C |
| Appearance: | White Powder |
| PSA: | 72.55000 |
| LogP: | 2.23100 |
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Specification
The Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (S)-(9CI), with the CAS registry number 73086-97-2, is also known as L-α-Aminoxy-β-phenylpropionic acid hydrobromide. It belongs to the product categories of Amino Acids & Derivatives; Intermediates. Its EINECS number is 277-280-8. This chemical's molecular formula is C9H12BrNO3 and molecular weight is 262.1. What's more, its systematic name is (2R)-2-aminooxy-3-phenyl-propanoic acid hydrobromide.
Physical properties of Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (S)-(9CI) are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): -0.7; (5)ACD/BCF (pH 5.5): 1.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 68.67 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 59.69 cm3; (15)Molar Volume: 179.4 cm3; (16)Polarizability: 23.66×10-24 cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 64.78 kJ/mol; (21)Boiling Point: 367.5 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1ccc(cc1)CC(C(=O)O)ON.Br
(2)InChI: InChI=1/C9H11NO3.BrH/c10-13-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m1./s1
(3)InChIKey: YENJJZAVLSPBIZ-DDWIOCJRBF