-
Name
1,2-Diethyldiaziridine
- EINECS 229-864-9
- CAS No. 6794-94-1
- Article Data6
- CAS DataBase
- Density 0.906 g/cm3
- Solubility
- Melting Point
- Formula C5H12N2
- Boiling Point 95.3 °C at 760 mmHg
- Molecular Weight 100.164
- Flash Point 2.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Einecs 229-864-9;
- PSA 6.02000
- LogP 0.39210
1,2-Diethyldiaziridine Specification
The CAS register number of 1,2-Diethyldiaziridine is 6794-94-1. It also can be called as Einecs 229-864-9. The molecular formula about this chemical is C5H12N2 and the molecular weight is 100.16218.
Physical properties about 1,2-Diethyldiaziridine are: (1)ACD/LogP: -0.27; (2)ACD/LogD (pH 5.5): -3.33; (3)ACD/LogD (pH 7.4): -2.5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 6.02 Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 30.39 cm3; (13)Molar Volume: 110.5 cm3; (14)Polarizability: 12.05x10-24cm3; (15)Surface Tension: 27.5 dyne/cm; (16)Density: 0.906 g/cm3; (17)Flash Point: 2.6 °C; (18)Enthalpy of Vaporization: 33.5 kJ/mol; (19)Boiling Point: 95.3 °C at 760 mmHg; (20)Vapour Pressure: 45.6 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N1(N(CC)C1)CC
(2)InChI: InChI=1/C5H12N2/c1-3-6-5-7(6)4-2/h3-5H2,1-2H3
(3)InChIKey: PWDZFUBSTVFGCD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H12N2/c1-3-6-5-7(6)4-2/h3-5H2,1-2H3
(5)Std. InChIKey: PWDZFUBSTVFGCD-UHFFFAOYSA-N
The toxicity data are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 110gm/m3 (110000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 114, 1999. |
| mouse | LD50 | oral | 4700mg/kg (4700mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 114, 1999. |
| rat | LC50 | inhalation | 30gm/m3 (30000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 114, 1999. |
| rat | LD50 | intraperitoneal | 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 114, 1999. |
| rat | LD50 | oral | 4gm/kg (4000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 114, 1999. |
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