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3-Pyrrolidinamine,1-methyl-, (3R)-

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  • Name 3-Pyrrolidinamine,1-methyl-, (3R)-
  • EINECSN/A
  • CAS No. 457097-75-5
  • Density0.933 g/cm3
  • PSA29.26000
  • LogP0.28740
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H12N2
  • Boiling Point109.6 °C at 760 mmHg
  • Molecular Weight100.1622
  • Flash Point22.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 457097-75-5 (3-Pyrrolidinamine,1-methyl-,(3R)-(9CI))
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Pyrrolidinamine,1-methyl-, (3R)- Specification

The 3-Pyrrolidinamine,1-methyl-, (3R)-, with the CAS registry number 457097-75-5, is also known as (R)-1-Methylpyrrolidin-3-amine. It belongs to the product category of Variousamine. This chemical's molecular formula is C5H12N2 and molecular weight is 100.1622. What's more, its systematic name is called (3R)-1-Methylpyrrolidin-3-amine.

Physical properties about 3-Pyrrolidinamine,1-methyl-, (3R)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 29.26 Å2; (10)Index of Refraction: 1.475; (11)Molar Refractivity: 30.27 cm3; (12)Molar Volume: 107.3 cm3; (13)Surface Tension: 31.6 dyne/cm; (14)Density: 0.933 g/cm3; (15)Flash Point: 22.4 °C; (16)Enthalpy of Vaporization: 34.83 kJ/mol; (17)Boiling Point: 109.6 °C at 760 mmHg; (18)Vapour Pressure: 24.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N[C@@H]1CCN(C)C1
(2) InChI: InChI=1/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m1/s1
(3) InChIKey: UNHOPMIDKWXFMF-RXMQYKEDBA

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