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CAS No.: | 18471-41-5 |
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Name: | 1-Phenylpyrrolidin-3-amine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H14N2 |
Molecular Weight: | 162.235 |
Synonyms: | Pyrrolidine,3-amino-1-phenyl- (8CI);1-Phenyl-3-aminopyrrolidine; |
Density: | 1.07 g/cm3 |
Boiling Point: | 276.6 °C at 760 mmHg |
Flash Point: | 106.7 °C |
PSA: | 29.26000 |
LogP: | 1.98930 |
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This chemical is called 1-Phenylpyrrolidin-3-amine, and it can also be named as 3-Pyrrolidinamine, 1-phenyl-. With the molecular formula of C10H14N2, its molecular weight is 162.23. The CAS registry number of this chemical is 18471-41-5.
Other characteristics of the 1-Phenylpyrrolidin-3-amine can be summarised as followings: (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): 1.57; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 50.01 cm3; (12)Molar Volume: 151.5 cm3; (13)Polarizability: 19.82×10-24cm3; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.07 g/cm3; (16)Flash Point: 106.7 °C; (17)Enthalpy of Vaporization: 51.51 kJ/mol; (18)Boiling Point: 276.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00475 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccc(cc1)N2CCC(N)C2
2.InChI: InChI=1/C10H14N2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2
3.InChIKey: SFMJIPNTKASYFH-UHFFFAOYAY