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

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Name

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

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

s-Triazine,2-amino-4-(3-pyridyl)-6-(1-pyrrolidinyl)- (8CI);

 

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.

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