Basic Information | Post buying leads | Suppliers |
Name |
Boc-(S)-3-Amino-4-(2-furyl)butyric acid |
EINECS | N/A |
CAS No. | 270263-06-4 | Density | 1.181 g/cm3 |
PSA | 88.77000 | LogP | 2.58100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H19NO5 | Boiling Point | 425.043 °C at 760 mmHg |
Molecular Weight | 269.29 | Flash Point | 210.858 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Furanbutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaS)-;N-beta-T-Butoxycarbonyl-L-homo(2-furyl)alanine;(3S)-3-[(tert-butoxycarbonyl)amino]-4-furan-2-ylbutanoic acid; |
The Boc-(S)-3-Amino-4-(2-furyl)-butyric acid, with the CAS registry number 270263-06-4, is also known as N-beta-T-Butoxycarbonyl-L-homo(2-furyl)alanine. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C13H19NO5 and molecular weight is 269.29. What's more, its systematic name is (3S)-3-[(tert-butoxycarbonyl)amino]-4-furan-2-ylbutanoic acid.
Physical properties of Boc-(S)-3-Amino-4-(2-furyl)-butyric acid are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.71; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 68.98 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 67.39 cm3; (15)Molar Volume: 227.9 cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Density: 1.181 g/cm3; (18)Flash Point: 210.9 °C; (19)Enthalpy of Vaporization: 71.65 kJ/mol; (20)Boiling Point: 425 °C at 760 mmHg; (21)Vapour Pressure: 5.55E-08 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](Cc1occc1)CC(=O)O
(2)InChI: InChI=1S/C13H19NO5/c1-13(2,3)19-12(17)14-9(8-11(15)16)7-10-5-4-6-18-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1
(3)InChIKey: WFTLLVUGUYBNDJ-VIFPVBQESA-N