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40188-41-8

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Basic Information
CAS No.: 40188-41-8
Name: 3,7-Dimethyloctannitril
Article Data: 2
Molecular Structure:
Molecular Structure of 40188-41-8 (3,7-Dimethyloctannitril)
Formula: C10H19N
Molecular Weight: 153.268
Synonyms: 3,7-Dimethyloctanenitrile;Tetrahydrogeranonitrile;
EINECS: 403-620-3
Density: 0.816 g/cm3
Boiling Point: 223.1 °C at 760 mmHg
Flash Point: 77.5 °C
Hazard Symbols: Xi,N
Risk Codes: 38-43-51/53
Safety: 36/37-61
PSA: 23.79000
LogP: 3.36248
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Specification

The CAS registry number of Octanenitrile,3,7-dimethyl- is 40188-41-8. Its EINECS registry number is 403-620-3. This chemical's molecular formula is C10H19N and molecular weight is 153.2646. Its systematic name is called 3,7-dimethyloctanenitrile.

Physical properties of Octanenitrile,3,7-dimethyl-: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 240.51; (5)ACD/BCF (pH 7.4): 240.51; (6)ACD/KOC (pH 5.5): 1762.04; (7)ACD/KOC (pH 7.4): 1762.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.427; (11)Molar Refractivity: 48.2 cm3; (12)Molar Volume: 187.7 cm3; (13)Surface Tension: 28.3 dyne/cm; (14)Density: 0.816 g/cm3; (15)Flash Point: 77.5 °C; (16)Enthalpy of Vaporization: 45.96 kJ/mol; (17)Boiling Point: 223.1 °C at 760 mmHg; (18)Vapour Pressure: 0.098 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may present an immediate or delayed danger to one or more components of the environment. In addition, it is irritating to skin. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(CCCC(C)C)C
(2)InChI: InChI=1/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3
(3)InChIKey: SAPMLSXAXRULJB-UHFFFAOYAJ