Basic Information | Post buying leads | Suppliers |
Name |
Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (R)-(9CI) |
EINECS | N/A |
CAS No. | 73086-98-3 | Density | N/A |
PSA | 72.55000 | LogP | 2.23100 |
Solubility | N/A | Melting Point |
165-167 °C |
Formula | C9H12BrNO3 | Boiling Point | 397.7 °C at 760 mmHg |
Molecular Weight | 262.9 | Flash Point | 194.3 °C |
Transport Information | N/A | Appearance | White powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2S)-2-aminooxy-3-phenyl-propanoic acid hydrobromide;D-α-Aminoxy-β-phenylpropionic acid hydrobromide; |
The Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (R)-(9CI), with the CAS registry number 73086-98-3, is also known as D-α-Aminoxy-β-phenylpropionic acid hydrobromide. It belongs to the product categories of Amino Acids & Derivatives; Intermediates. This chemical's molecular formula is C9H12BrNO3 and molecular weight is 262.9. What's more, its systematic name is (2S)-2-aminooxy-3-phenyl-propanoic acid hydrobromide.
Physical properties of Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (R)-(9CI) are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 72.55 Å2; (8)Flash Point: 194.3 °C; (9)Enthalpy of Vaporization: 68.36 kJ/mol; (10)Boiling Point: 397.7 °C at 760 mmHg; (11)Vapour Pressure: 4.87E-07 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-;/m0./s1
(3)InChIKey: YENJJZAVLSPBIZ-QRPNPIFTBJ