3-Amino-3-azabicyclo[3.3.0]octane supplier

Name
3-Amino-3-azabicyclo[3.3.0]octane
EINECS 259-201-9
CAS No. 54528-00-6
Article Data9
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point
Formula C₇H₁₄N₂
Boiling Point 187.975 °C at 760 mmHg
Molecular Weight 126.202
Flash Point 73.159 °C
Transport Information
Appearance a yellowish powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Amino-3-azabicyclo[3.3.0]octane;NAZA;hexahydrocyclopenta[c]pyrrol-2(1H)-amine;
PSA 29.26000
LogP 1.23020

3-Amino-3-azabicyclo[3.3.0]octane Specification

The CAS register number of 3-Amino-3-azabicyclo[3.3.0]octane is 54528-00-6. It also can be called as N-Amino-3-azabicyclo[3.3.0]octane and the IUPAC name about this chemical is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine. The molecular formula about this chemical is C₇H₁₄N₂and the molecular weight is 126.20.

Physical properties about 3-Amino-3-azabicyclo[3.3.0]octane are: (1)ACD/LogP: 0.14; (2)ACD/LogD (pH 5.5): -2.59; (3)ACD/LogD (pH 7.4): -0.97; (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): 2.22; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 6.48Å²; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 37.45 cm³; (14)Molar Volume: 121.5 cm³; (15)Polarizability: 14.84x10^-24cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Enthalpy of Vaporization: 42.42 kJ/mol; (18)Boiling Point: 188 °C at 760 mmHg; (19)Vapour Pressure: 0.613 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NN2CC1CCCC1C2
(2)InChI: InChI=1/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2
(3)InChIKey: FJYWNYLUZBMVKI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2
(5)Std. InChIKey: FJYWNYLUZBMVKI-UHFFFAOYSA-N

Product Name

3-Amino-3-azabicyclo[3.3.0]octane

3-Amino-3-azabicyclo[3.3.0]octane Specification

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