3-Amino-3-(3-isopropoxyphenyl)propanoic acid supplier

Name
3-AMINO-3-(3-ISOPROPOXYPHENYL)PROPANOIC ACID
EINECS
CAS No. 745775-31-9
Density 1.143 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₃
Boiling Point 367.6 °C at 760 mmHg
Molecular Weight 223.272
Flash Point 176.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-AMINO-3-(3-ISOPROPOXYPHENYL)PROPANOIC ACID
PSA 72.55000
LogP 2.64860

3-Amino-3-(3-isopropoxyphenyl)propanoic acid Specification

The cas register number of 3-Amino-3-(3-isopropoxyphenyl)propanoic acid is 745775-31-9. It also can be called as benzenepropanoic acid, β-amino-3-(1-methylethoxy)- and the Systematic name about this chemical is 3-amino-3-[3-(propan-2-yloxy)phenyl]propanoic acid.

Physical properties about 3-Amino-3-(3-isopropoxyphenyl)propanoic acid are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 72.55Å²; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 61.44 cm³; (13)Molar Volume: 195.2 cm³; (14)Surface Tension: 45.4 dyne/cm; (15)Density: 1.143 g/cm³; (16)Flash Point: 176.1 °C; (17)Enthalpy of Vaporization: 64.79 kJ/mol; (18)Boiling Point: 367.6 °C at 760 mmHg; (19)Vapour Pressure: 4.74E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CC(C)Oc1cc(ccc1)C(N)CC(O)=O
2.InChI: InChI=1/C12H17NO3/c1-8(2)16-10-5-3-4-9(6-10)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
3.InChIKey: UQYQZDUNSWFSNB-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C12H17NO3/c1-8(2)16-10-5-3-4-9(6-10)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)

Product Name

3-AMINO-3-(3-ISOPROPOXYPHENYL)PROPANOIC ACID

3-Amino-3-(3-isopropoxyphenyl)propanoic acid Specification

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