3-Pyrrolidinemethanol,1-(phenylmethyl)- supplier

Name
(1-benzyl-pyrrolidin-3-yl)-methanol
EINECS
CAS No. 85353-79-3
Density 1.082 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO
Boiling Point 274.9 °C at 760 mmHg
Molecular Weight 191.27
Flash Point 115.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzyl-3-pyrrolidinemethanol;1-Benzyl-3-(hydroxymethyl)pyrrolidine;
PSA 23.47000
LogP 1.43870

3-Pyrrolidinemethanol,1-(phenylmethyl)- Specification

The 3-Pyrrolidinemethanol,1-(phenylmethyl)-, with the CAS registry number 85353-79-3, is also known as 1-(Phenylmethyl)-3-pyrrolidinemethanol. This chemical's molecular formula is C₁₂H₁₇NO and molecular weight is 191.27. What's more, its systematic name is called (1-Benzylpyrrolidin-3-yl)methanol.

Physical properties about 3-Pyrrolidinemethanol,1-(phenylmethyl)- are: (1) ACD/LogP: 0.98; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.05; (4) ACD/LogD (pH 7.4): -0.93; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 12.47 Å²; (13) Index of Refraction: 1.563; (14) Molar Refractivity: 57.4 cm³; (15) Molar Volume: 176.6 cm³; (16) Surface Tension: 44.3 dyne/cm; (17) Density: 1.082 g/cm³; (18) Flash Point: 115.4 °C; (19) Enthalpy of Vaporization: 54.22 kJ/mol; (20) Boiling Point: 274.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00255 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC2CCN(Cc1ccccc1)C2
(2) InChI: InChI=1/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
(3) InChIKey: QPQQBJDSKDWQMJ-UHFFFAOYAB

Product Name

(1-benzyl-pyrrolidin-3-yl)-methanol

3-Pyrrolidinemethanol,1-(phenylmethyl)- Specification

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