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| CAS No.: | 146724-95-0 |
|---|---|
| Name: | DPTA NONOATE |
| Molecular Structure: | |
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|
|
| Formula: | C6H17N5O2 |
| Molecular Weight: | 191.233 |
| Synonyms: | 1-Propanamine,3,3'-(hydroxynitrosohydrazono)bis- (9CI);DPTA/NO; |
| Density: | 1.33 g/cm3 |
| Melting Point: | 92-93oC |
| Boiling Point: | 331.9 °C at 760 mmHg |
| Flash Point: | 154.5 °C |
| Appearance: | Off-White Crystalline Solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 108.18000 |
| LogP: | 0.67420 |
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Specification
This chemical is called 1,1-Bis(3-aminopropyl)-2-hydroxy-3-oxotriazane, and its CAS registry number is 146724-95-0. With the molecular formula of C6H17N5O2, its molecular weight is 191.23. In addition, this chemical should be sealed at the temperature of -70 °C.
Other characteristics of the 1,1-Bis(3-aminopropyl)-2-hydroxy-3-oxotriazane can be summarised as followings: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.78; (4)ACD/LogD (pH 7.4): -4.7; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 51.62 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 46.69 cm3; (15)Molar Volume: 143.5 cm3; (16)Polarizability: 18.51×10-24cm3; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 154.5 °C; (20)Enthalpy of Vaporization: 66.58 kJ/mol; (21)Boiling Point: 331.9 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is halmful and irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=NN(O)N(CCCN)CCCN
2.InChI: InChI=1/C6H17N5O2/c7-3-1-5-10(6-2-4-8)11(13)9-12/h13H,1-8H2
3.InChIKey: OHUBVPQNFCHIBG-UHFFFAOYAH