(S)-3-amino-4-(2-furyl)-butyric acid supplier

Name
(S)-3-amino-4-(2-furyl)-butyric acid
EINECS
CAS No. 270263-05-3
Density 1.237 g/cm³
Solubility
Melting Point
Formula C₈H₁₁NO₃
Boiling Point 306.5 °C at 760 mmHg
Molecular Weight 169.18
Flash Point 139.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-3-Amino-4-(2-furyl)butanoicacid;(3S)-3-Amino-4-furan-2-ylbutanoic acid;2-Furanbutanoic acid, β-amino-, (betaS)-;TL8002176;(3S)-3-Amino-4-(2-furyl)butanoic acid;
PSA 76.46000
LogP 2.12640

(S)-3-amino-4-(2-furyl)-butyric acid Specification

The (S)-3-Amino-4-(2-furyl)butyric acid, with the CAS registry number 270263-05-3, is also known as 2-Furanbutanoic acid, β-amino-, (betaS)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₈H₁₁NO₃ and molecular weight is 169.18. What's more, its systematic name is (3S)-3-amino-4-furan-2-ylbutanoic acid.

Physical properties of (S)-3-Amino-4-(2-furyl)butyric acid are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/BCF (pH 5.5): 1 ; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 42.68 Å²; (10)Index of Refraction: 1.532; (11)Molar Refractivity: 42.42 cm³; (12)Molar Volume: 136.7 cm³; (13)Surface Tension: 51.1 dyne/cm; (14)Density: 1.237 g/cm³; (15)Flash Point: 139.2 °C; (16)Enthalpy of Vaporization: 57.76 kJ/mol; (17)Boiling Point: 306.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000334 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](N)Cc1occc1
(2)InChI: InChI=1S/C8H11NO3/c9-6(5-8(10)11)4-7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
(3)InChIKey: ZIAIKPBTLUWDMG-LURJTMIESA-N

Product Name

(S)-3-amino-4-(2-furyl)-butyric acid

(S)-3-amino-4-(2-furyl)-butyric acid Specification

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