Molecule structure of Boc-D-prolinol (CAS NO.83435-58-9):
IUPAC Name: tert-Butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Molecular Weight: 201.26276 g/mol
Molecular Formula: C10H19NO3
Density: 1.084 g/cm3
Melting Point: 60-64 °C(lit.)
Boiling Point: 289.5 °C at 760 mmHg
Flash Point: 128.9 °C
Index of Refraction: 1.483
Molar Refractivity: 53.05 cm3
Molar Volume: 185.5 cm3
Surface Tension: 39.1 dyne/cm
Enthalpy of Vaporization: 61.36 kJ/mol
Vapour Pressure: 0.000241 mmHg at 25 °C
Storage Temp.: store at 0 °C
Water Solubility: insoluble
XLogP3-AA: 1
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 201.136493
MonoIsotopic Mass: 201.136493
Topological Polar Surface Area: 49.8
Heavy Atom Count: 14
Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1CO
Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1CO
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: BFFLLBPMZCIGRM-MRVPVSSYSA-N
Product Categories: Alcohol Aldehyde & acid series; Amino Acids; Chiral Building Blocks; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry; Chiral Products
Hazard Codes: Xi, Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Boc-D-prolinol (CAS NO.83435-58-9) is also named as 1-pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)- ; tert-Butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate ; tert-Butyl-(2S)-2-(hydroxymethyl)pyrrolidin-1-carboxylat ; (R)-(-)-N-Boc-prolinol ; (S)-(-)-1-Boc-2-pyrrolidinemethanol ; (S)-(+)-2-(Hydroxymethyl)pyrrolidine, N-BOC protected ; (S)-1-Boc-2-pyrrolidinemethanol ; (S)-2-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester ; (S)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate . Boc-D-prolinol (CAS NO.83435-58-9) is white powder.
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