-
Name
2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethanamine(SALTDATA: FREE)
- EINECS
- CAS No. 78449-78-2
- Article Data7
- CAS DataBase
- Density 1.023 g/cm3
- Solubility
- Melting Point
- Formula C9H18N2
- Boiling Point 197.098 °C at 760 mmHg
- Molecular Weight 154.255
- Flash Point 70.378 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1H-Pyrrolizine-7a(5H)-ethanamine, tetrahydro-;2-(Tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethanamine;2-(Hexahydro-1H-pyrrolizin-7a-yl)ethanamine;
- PSA 29.26000
- LogP 1.60180
5-(2-Aminoethyl)-1-azabicyclo[3.3.0]octane Specification
The 5-(2-Aminoethyl)-1-azabicyclo[3.3.0]octane with CAS registry number of 78449-78-2 is also known as 1H-Pyrrolizine-7a(5H)-ethanamine, tetrahydro-. The systematic name is 2-(Tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethanamine. In addition, the formula is C9H18N2 and the molecular weight is 154.25.
Physical properties about 5-(2-Aminoethyl)-1-azabicyclo[3.3.0]octane are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.26Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 47.144 cm3; (15)Molar Volume: 150.756 cm3; (16)Polarizability: 18.689×10-24cm3; (17)Surface Tension: 41.998 dyne/cm; (18)Density: 1.023 g/cm3; (19)Flash Point: 70.378 °C; (20)Enthalpy of Vaporization: 43.33 kJ/mol; (21)Boiling Point: 197.098 °C at 760 mmHg; (22)Vapour Pressure: 0.385 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: NCCC12N(CCC1)CCC2
2. InChI: InChI=1/C9H18N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-8,10H2
3. InChIKey: GSROTWURVBARHL-UHFFFAOYAN
4. Std. InChI: InChI=1S/C9H18N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-8,10H2
5. Std. InChIKey: GSROTWURVBARHL-UHFFFAOYSA-N
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