[1,1'-Biphenyl]-4-aceticacid, a-amino- supplier

Name
AMINO-BIPHENYL-4-YL-ACETIC ACID
EINECS
CAS No. 221101-61-7
Article Data2
CAS DataBase
Density 1.217 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃NO₂
Boiling Point 414.5 °C at 760 mmHg
Molecular Weight 227.2585
Flash Point 204.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-2-(4-phenylphenyl)acetic acid;
PSA 63.32000
LogP 3.13830

[1,1'-Biphenyl]-4-aceticacid, a-amino- Specification

The [1,1'-Biphenyl]-4-aceticacid, a-amino-, with the CAS registry number of 221101-61-7, is also known as 2-Amino-2-(4-phenylphenyl)acetic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₁₃NO₂ and molecular weight is 227.26. What's more, its systematic name is Amino(biphenyl-4-yl)acetic acid.

Physical properties about the [1,1'-Biphenyl]-4-aceticacid, a-amino- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.22; (8)ACD/KOC (pH 7.4): 2.21; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 65.49 cm³; (15)Molar Volume: 186.5 cm³; (16)Surface Tension: 54.3 dyne/cm; (17)Density: 1.217 g/cm³; (18)Flash Point: 204.5 °C; (19)Enthalpy of Vaporization: 70.37 kJ/mol; (20)Boiling Point: 414.5 °C at 760 mmHg; (21)Vapour Pressure: 1.3E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)c2ccc(c1ccccc1)cc2
(2) InChI: InChI=1/C14H13NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,15H2,(H,16,17)
(3) InChIKey: BMWOGALGPJNHSP-UHFFFAOYAG

Product Name

AMINO-BIPHENYL-4-YL-ACETIC ACID

[1,1'-Biphenyl]-4-aceticacid, a-amino- Specification

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