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| CAS No.: | 39244-83-2 |
|---|---|
| Name: | 4-Amidinophenylacetic acid |
| Molecular Structure: | |
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| Formula: | C9H10N2O2 |
| Molecular Weight: | 178.19 |
| Synonyms: | 4-Amidinophenylaceticacid;p-Amidinophenylacetic acid; |
| Density: | 1.3 g/cm3 |
| Boiling Point: | 357.4 °C at 760 mmHg |
| Flash Point: | 170 °C |
| PSA: | 87.17000 |
| LogP: | 1.39780 |
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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