cis-pyrrolidine-3,4-diyldimethanol supplier

Name
cis-pyrrolidine-3,4-diyldimethanol
EINECS
CAS No. 848616-45-5
Density 1.076 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO₂
Boiling Point 263.4 °C at 760 mmHg
Molecular Weight 131.175
Flash Point 137.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol;
PSA 52.49000
LogP -0.86460

cis-pyrrolidine-3,4-diyldimethanol Specification

The chemical with CAS registry number of 848616-45-5 is known as cis-pyrrolidine-3,4-diyldimethanol. It's systematic name is [(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol. In addition, the formula is C₆H₁₃NO₂ and the molecular weight is 131.17.

Physical properties about cis-pyrrolidine-3,4-diyldimethanol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 21.7Å²; (9)Index of Refraction: 1.473; (10)Molar Refractivity: 34.25 cm³; (11)Molar Volume: 121.8 cm³; (12)Polarizability: 13.57×10^-24cm³; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.076 g/cm³; (15)Flash Point: 137.5 °C; (16)Enthalpy of Vaporization: 58.21 kJ/mol; (17)Boiling Point: 263.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00145 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: C1C(C(CN1)CO)CO
2. InChI: InChI=1/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
3. InChIKey: ZRERAZQFEFFXSJ-OLQVQODUBU
4. Std. InChI: InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
5. Std. InChIKey: ZRERAZQFEFFXSJ-OLQVQODUSA-N

Product Name

cis-pyrrolidine-3,4-diyldimethanol

cis-pyrrolidine-3,4-diyldimethanol Specification

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