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760178-50-5

Basic Information
CAS No.: 760178-50-5
Name: 2,5-Dihydro-1H-pyrrole
Article Data: 37
Molecular Structure:
Molecular Structure of 760178-50-5 (2,5-Dihydro-1H-pyrrole)
Formula: C4H7N
Molecular Weight: 69.1063
Synonyms: 1H-Pyrrole,2,5-dihydro-;;
EINECS: 203-723-1
Density: 0.886g/cm3
Boiling Point: 90.999 °C at 760 mmHg
Flash Point: 5.829 °C
Solubility: Miscible
Hazard Symbols: R11:; R34:;
Risk Codes:  F:Flammable;
 F:Flammable;
Safety: 103173
PSA: 12.03000
LogP: 0.47460
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Specification

The 2,5-Dihydro-1H-pyrrole with cas registry number of 760178-50-5, has the systematic name of 2,5-dihydro-1H-pyrrole. And it is also named 1H-Pyrrole, 2,5-dihydro-.

Physical properties about this chemical are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 21.399 cm3; (13)Molar Volume: 78.043 cm3; (14)Polarizability: 8.483×10-24cm3; (15)Surface Tension: 31.15 dyne/cm; (16)Enthalpy of Vaporization: 33.094 kJ/mol; (17)Vapour Pressure: 54.872 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: C1C=CCN1;
(2)InChI: InChI=1/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2;
(3)InChIKey: JVQIKJMSUIMUDI-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2;
(5)Std. InChIKey: JVQIKJMSUIMUDI-UHFFFAOYSA-N