Basic Information | Post buying leads | Suppliers |
Name |
N-[4-(Aminomethyl)phenyl]guanidine |
EINECS | N/A |
CAS No. | 174959-56-9 | Density | 1.285 g/cm3 |
PSA | 87.92000 | LogP | 2.02400 |
Solubility | N/A | Melting Point |
172-176 °C |
Formula | C8H12N4 | Boiling Point | 373.715 °C at 760 mmHg |
Molecular Weight | 164.21 | Flash Point | 179.817 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Guanidine,[4-(aminomethyl)phenyl]- (9CI); |
The N-[4-(Aminomethyl)phenyl]guanidine with its cas register number is 174959-56-9. It also can be called as Guanidine,N-[4-(aminomethyl)phenyl]- and the Systematic name about this chemical is 2-[4-(aminomethyl)phenyl]guanidine.
Physical properties about N-[4-(Aminomethyl)phenyl]guanidine are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -4; (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: 6; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 90.42Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 45.66 cm3; (15)Molar Volume: 127.816 cm3; (16)Polarizability: 18.101x10-24cm3; (17)Surface Tension: 56.015 dyne/cm; (18)Enthalpy of Vaporization: 62.102 kJ/mol
You can still convert the following datas into molecular structure:
(1)SMILES: N(/c1ccc(cc1)CN)=C(/N)N
(2)InChI: InChI=1/C8H12N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,5,9H2,(H4,10,11,12)
(3)InChIKey: MOKSHZWZRKXXAO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H12N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,5,9H2,(H4,10,11,12)
(5)Std. InChIKey: MOKSHZWZRKXXAO-UHFFFAOYSA-N