Guanidine,N-[(3-bromophenyl)methyl]- supplier

Name
3-BROMOBENZYLGUANIDINIUM SULFATE
EINECS
CAS No. 90151-50-1
Density 1.58 g/cm³
Solubility
Melting Point 174-175°C (dec.)
Formula C₈H₁₀BrN₃
Boiling Point 362.2 °C at 760 mmHg
Molecular Weight 326.17
Flash Point 172.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Guanidine,(m-bromobenzyl)- (7CI);Guanidine, [(3-bromophenyl)methyl]- (9CI);m-Bromobenzylguanidine;
PSA 144.88000
LogP 3.05110

Guanidine,N-[(3-bromophenyl)methyl]- Specification

The Guanidine,N-[(3-bromophenyl)methyl]-, with the CAS registry number 90151-50-1, is also known as (m-Bromobenzyl)guanidine. This chemical's molecular formula is C₈H₁₀BrN₃ and molecular weight is 228.0891. Its IUPAC name is called 2-[(3-bromophenyl)methyl]guanidine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Guanidine,N-[(3-bromophenyl)methyl]-: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): -0.44; (3)ACD/LogD (pH 7.4): -0.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.68; (7)ACD/KOC (pH 7.4): 1.68; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 51.3 cm³; (13)Molar Volume: 143.5 cm³; (14)Surface Tension: 52.2 dyne/cm; (15)Density: 1.58 g/cm³; (16)Flash Point: 172.8 °C; (17)Enthalpy of Vaporization: 60.81 kJ/mol; (18)Boiling Point: 362.2 °C at 760 mmHg; (19)Vapour Pressure: 1.97E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)Br)CN=C(N)N
(2)InChI: InChI=1S/C8H10BrN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
(3)InChIKey: NQAHHMUBLBQHKO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	41744ug/kg (41.744mg/kg)		Biochemical Pharmacology. Vol. 12, Pg. 229, 1963.

Product Name

3-BROMOBENZYLGUANIDINIUM SULFATE

Guanidine,N-[(3-bromophenyl)methyl]- Specification

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