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Cas Database |
| Name |
(1S)-2,5-Diazabicyclo[2.2.1]heptane |
EINECS | N/A |
| CAS No. | 132339-20-9 | Density | 1.008 g/cm3 |
| PSA | 24.06000 | LogP | -0.02230 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H10N2 | Boiling Point | 175.4 °C at 760 mmHg |
| Molecular Weight | 98.1478 | Flash Point | 78.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,5-Diazabicyclo[2.2.1]heptane,(1S)-;(1S,4S)-(+)-2,5-Diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane; |
Article Data | 1 |
(1S)-2,5-Diazabicyclo[2.2.1]heptane Specification
The CAS register number of (1S)-2,5-Diazabicyclo[2.2.1]heptane is 132339-20-9. It also can be called as (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane and the systematic name about this chemical is (4S)-3,6-diazabicyclo[2.2.1]heptane. The molecular formula about this chemical is C5H10N2 and the molecular weight is 98.15.
Physical properties about (1S)-2,5-Diazabicyclo[2.2.1]heptane are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)Polar Surface Area: 24.06Å2; (8)Index of Refraction: 1.483; (9)Molar Refractivity: 27.8 cm3; (10)Molar Volume: 97.2 cm3; (11)Polarizability: 11.02x10-24cm3; (12)Surface Tension: 33.8 dyne/cm; (13)Enthalpy of Vaporization: 41.17 kJ/mol; (14)Boiling Point: 175.4 °C at 760 mmHg; (15)Vapour Pressure: 1.15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C2CNC1CN2
(2)InChI: InChI=1/C5H10N2/c1-4-2-6-5(1)3-7-4/h4-7H,1-3H2/t4-,5?/m0/s1
(3)InChIKey: UKHJNJFJCGBKSF-ROLXFIACBO
(4)Std. InChI: InChI=1S/C5H10N2/c1-4-2-6-5(1)3-7-4/h4-7H,1-3H2/t4-,5?/m0/s1
(5)Std. InChIKey: UKHJNJFJCGBKSF-ROLXFIACSA-N
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