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CAS No.: | 15185-01-0 |
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Name: | N-BUTYLPYRROLIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H17N |
Molecular Weight: | 127.23 |
Synonyms: | Pyrrolidine,1-tert-butyl- (6CI,8CI);1-tert-Butylpyrrolidine;N-tert-Butylpyrrolidine;NSC148206; |
Density: | 0.871 g/cm3 |
Boiling Point: | 140.8 °C at 760 mmHg |
Flash Point: | 32.7 °C |
PSA: | 3.24000 |
LogP: | 1.81860 |
The Pyrrolidine, 1-(1, 1-dimethylethyl)-, with the CAS registry number 15185-01-0, is also known as N-tert-Butylpyrrolidine. This chemical's molecular formula is C8H17N and molecular weight is 127.23. What's more, its IUPAC name is 1-tert-Butylpyrrolidine.
Physical properties about Pyrrolidine, 1-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 40.2 cm3; (9)Molar Volume: 146 cm3; (10)Polarizability: 15.93×10-24 cm3; (11)Surface Tension: 30.5 dyne/cm; (12)Density: 0.871 g/cm3; (13)Flash Point: 32.7 °C; (14)Enthalpy of Vaporization: 37.8 kJ/mol; (15)Boiling Point: 140.8 °C at 760 mmHg; (16)Vapour Pressure: 6.02 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N1(C(C)(C)C)CCCC1
(2) InChI: InChI=1/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3
(3) InChIKey: WNMQSIGDRWCJMO-UHFFFAOYAH