-
Name
1,5-Dimethyl-2-nitroiminohexahydro-1,3,5-triazine
- EINECS
- CAS No. 136516-16-0
- Article Data1
- CAS DataBase
- Density 1.45 g/cm3
- Solubility
- Melting Point
- Formula C5H11N5O2
- Boiling Point 271.3 °C at 760 mmHg
- Molecular Weight 173.175
- Flash Point 117.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1, 5-Dimethyl-2-nitroiminohexahydro-1, 3, 5-triazine
- PSA 76.69000
- LogP -0.35630
1,5-Dimethyl-2-nitroiminohexahydro-1,3,5-triazine Specification
The CAS register number of 1,5-Dimethyl-2-nitroiminohexahydro-1,3,5-triazine is 136516-16-0. The systematic name about this chemical is 1,5-dimethyl-N-nitro-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine. The molecular formula about this chemical is C5H11N5O2 and the molecular weight is 173.17.
Physical properties about 1,5-Dimethyl-2-nitroiminohexahydro-1,3,5-triazine are: (1)ACD/LogP: -1.76; (2)ACD/LogD (pH 5.5): -1.77; (3)ACD/LogD (pH 7.4): -2.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.55; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)Polar Surface Area: 67.9 Å2; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 42.34 cm3; (13)Molar Volume: 119.1 cm3; (14)Polarizability: 16.78x10-24cm3; (15)Surface Tension: 59.4 dyne/cm; (16)Density: 1.45 g/cm3; (17)Flash Point: 117.9 °C; (18)Enthalpy of Vaporization: 50.95 kJ/mol; (19)Boiling Point: 271.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00651 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)N/C1=N/CN(C)CN1C
(2)InChI: InChI=1/C5H11N5O2/c1-8-3-6-5(7-10(11)12)9(2)4-8/h3-4H2,1-2H3,(H,6,7)
(3)InChIKey: SCAWPDJOSHEKLT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H11N5O2/c1-8-3-6-5(7-10(11)12)9(2)4-8/h3-4H2,1-2H3,(H,6,7)
(5)Std. InChIKey: SCAWPDJOSHEKLT-UHFFFAOYSA-N
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