1,3,5-Triazin-2-amine,4-(3-pyridinyl)-6-(1-pyrrolidinyl)- supplier

Name
s-Triazine, 2-amino-4-(3-pyridyl)-6-(1-pyrrolidinyl)-
EINECS
CAS No. 32664-45-2
Density 1.313 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄N₆
Boiling Point 522 °C at 760 mmHg
Molecular Weight 242.2798
Flash Point 269.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazine,2-amino-4-(3-pyridyl)-6-(1-pyrrolidinyl)- (8CI);
PSA 80.82000
LogP 1.76220

1,3,5-Triazin-2-amine,4-(3-pyridinyl)-6-(1-pyrrolidinyl)- Specification

The 1,3,5-Triazin-2-amine,4-(3-pyridinyl)-6-(1-pyrrolidinyl)-, with the CAS registry number 32664-45-2, is also known as s-Triazine, 2-amino-4-(3-pyridyl)-6-(1-pyrrolidinyl)-. This chemical's molecular formula is C₁₂H₁₄N₆ and molecular weight is 242.2798. Its systematic name is called 4-(pyridin-3-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 1,3,5-Triazin-2-amine,4-(3-pyridinyl)-6-(1-pyrrolidinyl)-: (1)ACD/LogP: -0.86; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.26; (5)ACD/KOC (pH 7.4): 13.77; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.654; (10)Molar Refractivity: 67.65 cm³; (11)Molar Volume: 184.4 cm³; (12)Surface Tension: 75.1 dyne/cm; (13)Density: 1.313 g/cm³; (14)Flash Point: 269.5 °C; (15)Enthalpy of Vaporization: 79.53 kJ/mol; (16)Boiling Point: 522 °C at 760 mmHg; (17)Vapour Pressure: 5.41E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nc(nc1c2cccnc2)N3CCCC3)N
(2)InChI: InChI=1/C12H14N6/c13-11-15-10(9-4-3-5-14-8-9)16-12(17-11)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H2,13,15,16,17)
(3)InChIKey: IMUIJUULNYJRNM-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1700mg/kg (1700mg/kg)		Journal of Medicinal Chemistry. Vol. 13, Pg. 1081, 1970.

Product Name

s-Triazine, 2-amino-4-(3-pyridyl)-6-(1-pyrrolidinyl)-

1,3,5-Triazin-2-amine,4-(3-pyridinyl)-6-(1-pyrrolidinyl)- Specification

Related Products

Hot Products