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3-Hydroxymethylpyrrolidine (5082-74-6)

Identification
Name:3-Hydroxymethylpyrrolidine
Synonyms:3-(Hydroxymethyl)pyrrolidine;Pyrrolidin-3-ylmethanol;3-Pyrrolidinemethanol;
CAS:5082-74-6
Molecular Formula: C5H11NO
Molecular Weight: 101.15
InChI: InChI=1/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
Molecular Structure: (C5H11NO) 3-(Hydroxymethyl)pyrrolidine;Pyrrolidin-3-ylmethanol;3-Pyrrolidinemethanol;
Properties
Flash Point: 89.6°C
Boiling Point: 176.1°Cat760mmHg
Density:0.978g/cm3
Refractive index:1.455
Specification:

The cas register number of 3-Hydroxymethylpyrrolidine is 5082-74-6. It also can be called as 3-pyrrolidinemethanol and the Systematic name about this chemical is pyrrolidin-3-ylmethanol.

Physical properties about 3-Hydroxymethylpyrrolidine are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 28.024 cm3; (13)Molar Volume: 103.32 cm3; (14)Surface Tension: 36.555 dyne/cm; (15)Density: 0.979 g/cm3; (16)Flash Point: 89.626 °C; (17)Enthalpy of Vaporization: 48.017 kJ/mol; (18)Boiling Point: 176.136 °C at 760 mmHg; (19)Vapour Pressure: 0.339 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: OCC1CCNC1
2.InChI: InChI=1/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2 
3.InChIKey: QOTUIIJRVXKSJU-UHFFFAOYAB
4.Std. InChI: InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2

Flash Point: 89.6°C
Safety Data