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CAS No.: | 474645-97-1 |
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Name: | (3R)-3-AMINOPENTANENITRILE METHANESULFONATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H14N2O3S |
Molecular Weight: | 194.25 |
Synonyms: | (R)-3-Aminopentanenitrile methanesulfonic acid salt;(3R)-3-Aminopentanenitrile methanesulfonate; |
Boiling Point: | 414.7 °C at 760 mmHg |
Flash Point: | 204.6 °C |
PSA: | 112.56000 |
LogP: | 1.92248 |
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The Pentanenitrile, 3-amino-, (3R)-, methanesulfonate (1:1), with the CAS registry number 474645-97-1, is also known as (3R)-3-Aminopentanenitrile methanesulfonate. This chemical's molecular formula is C6H14N2O3S and molecular weight is 194.25. What's more, its systematic name is (3R)-1-cyanobutan-3-aminium methanesulfonate.
Physical properties of Pentanenitrile, 3-amino-, (3R)-, methanesulfonate (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 89.37 Å2; (6)Flash Point: 204.6 °C; (7)Enthalpy of Vaporization: 73.24 kJ/mol; (8)Boiling Point: 414.7 °C at 760 mmHg; (9)Vapour Pressure: 4.88E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC[C@H]([NH3+])CC.[O-]S(=O)(=O)C
(2)InChI: InChI=1S/C5H10N2.CH4O3S/c1-2-5(7)3-4-6;1-5(2,3)4/h5H,2-3,7H2,1H3;1H3,(H,2,3,4)/t5-;/m1./s1
(3)InChIKey: YFUWGHZSEBRWEO-NUBCRITNSA-N