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678969-18-1

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Basic Information
CAS No.: 678969-18-1
Name: (R)-3-AMINO-3-(PYRIDIN-4-YL)PROPANOIC ACID
Molecular Structure:
Molecular Structure of 678969-18-1 ((R)-3-AMINO-3-(PYRIDIN-4-YL)PROPANOIC ACID)
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: (R)-3-AMINO-3-(PYRIDIN-4-YL)PROPANOIC ACID
Density: 1.268 g/cm3
Boiling Point: 352.7 °C at 760 mmHg
Flash Point: 167.1 °C
PSA: 76.21000
LogP: 1.25640
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Specification

The (R)-3-Amino-3-(pyridin-4-yl)propanoic acid, with the CAS registry number 678969-18-1, is also known as (3R)-3-Amino-3-(pyridin-4-yl)propanoic acid. This chemical's molecular formula is C8H10N2O2 and formula weight is 166.18. What's more, its systematic name is called 4-Pyridinepropanoic acid, β-amino-, (betaR)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 76.21 Å2; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 43.62 cm3; (12)Molar Volume: 131 cm3; (13)Surface Tension: 61.7 dyne/cm; (14)Density: 1.268 g/cm3; (15)Flash Point: 167.1 °C; (16)Enthalpy of Vaporization: 63.06 kJ/mol; (17)Boiling Point: 352.7 °C at 760 mmHg; (18)Vapour Pressure: 1.39E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnccc1[C@@H](CC(=O)O)N
(2)InChI: InChI=1/C8H10N2O2/c9-7(5-8(11)12)6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m1/s1
(3)InChIKey: HELGKMIKUOPFTO-SSDOTTSWBM