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176445-77-5

Basic Information
CAS No.: 176445-77-5
Name: 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile
Article Data: 6
Molecular Structure:
Molecular Structure of 176445-77-5 (4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile)
Formula: C8H14N2O
Molecular Weight: 154.212
Synonyms: 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile;
Density: 1.032 g/cm3
Melting Point: 51 °C
Boiling Point: 263.349 °C at 760 mmHg
Flash Point: 113.07 °C
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 36.26000
LogP: 0.62078
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Specification

The 2H-Pyran-4-carbonitrile, 4-(dimethylamino)tetrahydro- has CAS registry number 176445-77-5. This chemical's molecular formula is C8H14N2O and molecular weight is 154.20956. What's more, its systematic name is 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile.

Physical properties about 2H-Pyran-4-carbonitrile, 4-(dimethylamino)tetrahydro- are: (1)ACD/LogP: -2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.26 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 42.613 cm3; (15)Molar Volume: 149.48 cm3; (16)Polarizability: 16.893×10-24 cm3; (17)Surface Tension: 38.833 dyne/cm; (18)Density: 1.032 g/cm3; (19)Flash Point: 113.07 °C; (20)Enthalpy of Vaporization: 50.117 kJ/mol; (21)Boiling Point: 263.349 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC1(N(C)C)CCOCC1
(2) InChI: InChI=1/C8H14N2O/c1-10(2)8(7-9)3-5-11-6-4-8/h3-6H2,1-2H3
(3) InChIKey: FDGOISRHLNMQRE-UHFFFAOYAM