Basic Information | Post buying leads | Suppliers |
Name |
(s)-3-amino-4-pentafluorophenylbutanoic acid hydrochloride |
EINECS | N/A |
CAS No. | 270063-41-7 | Density | 1.538 |
PSA | 63.32000 | LogP | 3.22890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9ClF5NO2 | Boiling Point | 309.9 °C at 760 mmHg |
Molecular Weight | 305.63 | Flash Point | 141.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3S)-3-Amino-4-(pentafluorophenyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(pentafluorophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-2,3,4,5,6-pentafluoro-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(pentafluoro-phenyl)-butyric acid-HCl; |
The (S)-3-Amino-4-pentafluorophenylbutanoic acid hydrochloride, with the CAS registry number 270063-41-7, is also known as Benzenebutanoic acid, β-amino-2,3,4,5,6-pentafluoro-, (betaS)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C10H9ClF5NO2 and molecular weight is 305.63. What's more, its systematic name is (3S)-3-amino-4-(pentafluorophenyl)butanoic acid hydrochloride.
Physical properties of (S)-3-Amino-4-pentafluorophenylbutanoic acid hydrochloride are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 29.54 Å2; (11)Flash Point: 141.2 °C; (12)Enthalpy of Vaporization: 58.14 kJ/mol; (13)Boiling Point: 309.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000267 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)C[C@H](N)CC(=O)O.Cl
(2)InChI: InChI=1S/C10H8F5NO2.ClH/c11-6-4(1-3(16)2-5(17)18)7(12)9(14)10(15)8(6)13;/h3H,1-2,16H2,(H,17,18);1H/t3-;/m0./s1
(3)InChIKey: ZZFVLTJRIMBREK-DFWYDOINSA-N