Benzenepropanoic acid, β-amino-3,5-dichloro- supplier

Name
3-AMINO-3-(3,5-DICHLORO-PHENYL)-PROPIONIC ACID
EINECS
CAS No. 188812-95-5
Article Data9
CAS DataBase
Density 1.448 g/cm³
Solubility
Melting Point
Formula C₉H₉Cl₂NO₂
Boiling Point 358.888 °C at 760 mmHg
Molecular Weight 234.082
Flash Point 170.85 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-3-(3,5-dichlorophenyl)propionicacid;
PSA 63.32000
LogP 3.16820

Benzenepropanoic acid, β-amino-3,5-dichloro- Specification

The Benzenepropanoic acid, β-amino-3,5-dichloro-, with the CAS registry number 188812-95-5, is also known as DL-3-Amino-3-(3,5-dichloro-phenyl)-propionic acid. This chemical's molecular formula is C₉H₉Cl₂NO₂ and molecular weight is 234.08. What's more, its systematic name is called 3-Amino-3-(3,5-dichlorophenyl)propanoic acid.

Physical properties about Benzenepropanoic acid, β-amino-3,5-dichloro- are: (1) ACD/LogP: 1.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 63.32 Å²; (13) Index of Refraction: 1.6; (14) Molar Refractivity: 55.328 cm³; (15) Molar Volume: 161.71 cm³; (16) Surface Tension: 57.284 dyne/cm; (17) Density: 1.448 g/cm³; (18) Flash Point: 170.85 °C; (19) Enthalpy of Vaporization: 63.777 kJ/mol; (20) Boiling Point: 358.888 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(Cl)c1)C(N)CC(O)=O
(2) InChI: InChI=1/C9H9Cl2NO2/c10-6-1-5(2-7(11)3-6)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
(3) InChIKey: MQEZPQHIAIRXQC-UHFFFAOYAC

Product Name

3-AMINO-3-(3,5-DICHLORO-PHENYL)-PROPIONIC ACID

Benzenepropanoic acid, β-amino-3,5-dichloro- Specification

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