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Name	4-Guanidinobenzoic acid	EINECS	N/A
CAS No.	16060-65-4	Density	1.42
PSA	99.20000	LogP	1.56320
Solubility	N/A	Melting Point	260-270 oC
Formula	C8H9 N3 O2	Boiling Point	361.3±44.0 °C(Predicted)
Molecular Weight	179.178	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Benzoicacid, p-guanidino- (6CI,7CI,8CI); 4-Guanidinobenzoic acid; p-Guanidinobenzoicacid	Article Data	8

4-Guanidinobenzoic acid Chemical Properties

Molecular Structure of 4-Guanidinobenzoic acid (CAS No.16060-65-4):

Molecular Formula: C₈H₉N₃O₂
Molecular Weight: 179.17596
CAS No: 16060-65-4
XLogP3: 0.6
Topological Polar Surface Area: 102
Heavy Atom Count: 13
Formal Charge: 0
Complexity: 215
H bond acceptors: 5
H bond donors: 5
Freely Rotating Bonds: 2
Polar Surface Area: 45.14 Å²
Index of Refraction: 1.643
Molar Refractivity: 45.44 cm³
Molar Volume: 125.6 cm³
Surface Tension: 62.8 dyne/cm
Density: 1.42 g/cm³
Flash Point: 218.9 °C
Enthalpy of Vaporization: 73.27 kJ/mol
Boiling Point: 438.4 °C at 760 mmHg
Vapour Pressure: 1.85E-08 mmHg at 25°C
IUPAC Name: 4-(Diaminomethylideneamino)benzoic acid
Canonical SMILES: C1=CC(=CC=C1C(=O)O)N=C(N)N
InChI: InChI=1S/C₈H₉N₃O₂/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
InChIKey: SXTSBZBQQRIYCU-UHFFFAOYSA-N

4-Guanidinobenzoic acid Specification

4-Guanidinobenzoic acid (CAS No.16060-65-4), it also can be called 4-[(Aminoiminomethyl)amino]benzoic acid .

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