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1-(Hydroxymethyl)cyclopropane acetonitrile

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Name

1-(Hydroxymethyl)cyclopropane acetonitrile

EINECS 604-877-6
CAS No. 152922-71-9 Density 1.098 g/cm3
PSA 44.02000 LogP 0.67258
Solubility N/A Melting Point 70-71oC
Formula C6H9NO Boiling Point 245.1 °C at 760mmHg
Molecular Weight 111.144 Flash Point 102.1 °C
Transport Information N/A Appearance white or almost white power
Safety Risk Codes 22
Molecular Structure Molecular Structure of 152922-71-9 (1-(Hydroxymethyl)cyclopropaneacetonitrile) Hazard Symbols IrritantXi
Synonyms

[1-(Hydroxymethyl)cyclopropyl]acetonitrile;

Article Data 15

1-(Hydroxymethyl)cyclopropane acetonitrile Specification

This chemical is an organic compound with the formula C6H9NO. The systematic name is [1-(hydroxymethyl)cyclopropyl]acetonitrile. With the CAS registry number 152922-71-9, it is also named as cyclopropaneacetonitrile, 1-(hydroxymethyl)-; [1-(Hydroxymethyl)cyclopropyl]acetonitrile 97%; 1,1-cyclopropane dimethanol cylic sufite. The product's categories is ring systems. It is white crystal which is used as intermediates of new drug Montelukast.   

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.489; (7)Molar Refractivity: 29.21 cm3; (8)Molar Volume: 101.197 cm3; (9)Polarizability: 11.58 10-24cm3; (10)Surface Tension: 56.946 dyne/cm; (11)Enthalpy of Vaporization: 56.034 kJ/mol; (12)Vapour Pressure: 0.005 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: N#CCC1(CO)CC1; InChI: InChI=1/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2; InChIKey: WYOMLUMUVAPMKE-UHFFFAOYAK. 1-(Hydroxymethyl)cyclopropane acetonitrile has many suppliers, such as Shanghai Growingchem Co., Ltd.. The price of this product changes with the market.

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