3-Amino-4-(1-naphthyl)butyric acid supplier

Name
3-AMINO-4-(NAPHTHALEN-1-YL)BUTANOIC ACID
EINECS
CAS No. 465498-55-9
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅NO₂
Boiling Point 430 °C at 760 mmHg
Molecular Weight 229.27
Flash Point 213.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-4-(1-naphthyl)butyric acid;
PSA 63.32000
LogP 2.88460

3-Amino-4-(1-naphthyl)butyric acid Specification

The systematic name of 3-Amino-4-(1-naphthyl)butyric acid is 3-Amino-4-(naphthalen-1-yl)butanoic acid. With the CAS registry number 465498-55-9, it is also named as 1-Naphthalenebutanoicacid, b-amino-. In addition, its molecular formula is C₁₄H₁₅NO₂ and its molecular weight is 229.27.

The other characteristics of 3-Amino-4-(1-naphthyl)butyric acid can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.86; (8)ACD/KOC (pH 7.4): 1.85; (9)H bond acceptors: 3; (10)H bond donors: 3; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.32 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 67.96 cm³; (15)Molar Volume: 188 cm³; (16)Polarizability: 26.94×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.219 g/cm³; (19)Flash Point: 213.9 °C; (20)Enthalpy of Vaporization: 72.25 kJ/mol; (21)Boiling Point: 430 °C at 760 mmHg; (22)Vapour Pressure: 3.69E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc2c(c1)cccc2CC(CC(=O)O)N
(2)InChI:InChI=1/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17)
(3)InChIKey:VEJIDCKYNSOIIN-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17)
(5)Std. InChIKey:VEJIDCKYNSOIIN-UHFFFAOYSA-N

Product Name

3-AMINO-4-(NAPHTHALEN-1-YL)BUTANOIC ACID

3-Amino-4-(1-naphthyl)butyric acid Specification

Related Products

Hot Products