N-[4-(Aminomethyl)phenyl]guanidine supplier

Name
4-Guanidinobenzylamine
EINECS
CAS No. 174959-56-9
Density 1.285 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Guanidine,[4-(aminomethyl)phenyl]- (9CI);
PSA 87.92000
LogP 2.02400

N-[4-(Aminomethyl)phenyl]guanidine Specification

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

Product Name

4-Guanidinobenzylamine

N-[4-(Aminomethyl)phenyl]guanidine Specification

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