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4-Amidinophenylacetic acid

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Name

4-Amidinophenylacetic acid

EINECS N/A
CAS No. 39244-83-2 Density 1.3 g/cm3
PSA 87.17000 LogP 1.39780
Solubility N/A Melting Point N/A
Formula C9H10N2O2 Boiling Point 357.4 °C at 760 mmHg
Molecular Weight 178.19 Flash Point 170 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 39244-83-2 (4-Amidinophenylacetic acid) Hazard Symbols N/A
Synonyms

4-Amidinophenylaceticacid;p-Amidinophenylacetic acid;

 

4-Amidinophenylacetic acid Specification

This chemical is called 4-Amidinophenylacetic acid, and its systematic name is (4-carbamimidoylphenyl)acetic acid. With the molecular formula of C9H10N2O2, its molecular weight is 178.19. The CAS registry number of this chemical is 39244-83-2.

Other characteristics of the 4-Amidinophenylacetic acid can be summarised as followings: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.54; (4)ACD/LogD (pH 7.4): -2.56; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 47 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 18.63×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 170 °C; (20)Enthalpy of Vaporization: 63.61 kJ/mol; (21)Boiling Point: 357.4 °C at 760 mmHg; (22)Vapour Pressure: 9.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)Cc1ccc(cc1)C(=[N@H])N
2.InChI: InChI=1/C9H10N2O2/c10-9(11)7-3-1-6(2-4-7)5-8(12)13/h1-4H,5H2,(H3,10,11)(H,12,13)
3.InChIKey: SSGFEOFDJDCDCI-UHFFFAOYAR

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