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IUPAC Name: tert-Butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Synonyms of : (S)-3-Hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
CAS NO: 199174-24-8
Molecular Formula: C10H19NO3
Molecular Weight: 201.26
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 38.77 Å2
Index of Refraction: 1.483
Molar Refractivity: 53.05 cm3
Molar Volume: 185.5 cm3
Surface Tension: 39.1 dyne/cm
Density: 1.084 g/cm3
Flash Point: 128.9 °C
Enthalpy of Vaporization: 61.36 kJ/mol
Boiling Point: 289.5 °C at 760 mmHg
Vapour Pressure: 0.000241 mmHg at 25°C
SMILES: O=C(OC(C)(C)C)N1C[C@H](CC1)CO
InChI: InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKey: HKIGXXRMJFUUKV-QMMMGPOBBN
Std. InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
Std. InChIKey: HKIGXXRMJFUUKV-QMMMGPOBSA-N
Product Categories: pharmacetical