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Name |
1,3,5-Triazin-2-amine,4-(4-morpholinyl)- |
EINECS | N/A |
CAS No. | 2045-25-2 | Density | 1.345 g/cm3 |
PSA | 77.16000 | LogP | -0.06340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H11N5O | Boiling Point | 434.8 °C at 760 mmHg |
Molecular Weight | 181.20 | Flash Point | 216.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
s-Triazine,2-amino-4-morpholino- (7CI,8CI);2-Amino-4-morpholino-s-triazine;NSC 109885;4-(Morpholin-4-yl)-1,3,5-triazin-2-amine;4-(4-Morpholinyl)-1,3,5-triazin-2-amine;(4-Morpholino-s-triazin-2-yl)amine; |
Article Data | 11 |
The 1,3,5-Triazin-2-amine,4-(4-morpholinyl)-, with the CAS registry number 2045-25-2, is also known as 2-Amino-4-morpholino-s-triazine. This chemical's molecular formula is C7H11N5O and molecular weight is 181.20. What's more, its systematic name is 4-(Morpholin-4-yl)-1,3,5-triazin-2-amine.
Physical properties of 1,3,5-Triazin-2-amine,4-(4-morpholinyl)- are: (1)ACD/LogP: -2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.92; (4)ACD/LogD (pH 7.4): -2.79; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.38 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 46.57 cm3; (15)Molar Volume: 134.6 cm3; (16)Polarizability: 18.46×10-24cm3; (17)Surface Tension: 74.4 dyne/cm; (18)Density: 1.345 g/cm3; (19)Flash Point: 216.8 °C; (20)Enthalpy of Vaporization: 69.1 kJ/mol; (21)Boiling Point: 434.8 °C at 760 mmHg; (22)Vapour Pressure: 9.17E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCN1C2=NC(=NC=N2)N
(2)InChI: InChI=1S/C7H11N5O/c8-6-9-5-10-7(11-6)12-1-3-13-4-2-12/h5H,1-4H2,(H2,8,9,10,11)
(3)InChIKey: QEJUSHCHCOTTPE-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06390, | |
quail | LD50 | oral | > 316mg/kg (316mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. |