Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
4-Amidinophenylaceticacid;p-Amidinophenylacetic acid; |
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