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4-(Aminomethyl)tetrahydro-2H-pyran-4-ol

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Name

4-(Aminomethyl)tetrahydro-2H-pyran-4-ol

EINECS N/A
CAS No. 783303-73-1 Density 1.115 g/cm3
PSA 55.48000 LogP 0.18690
Solubility N/A Melting Point N/A
Formula C6H13NO2 Boiling Point 258.69 °C at 760 mmHg
Molecular Weight 131.175 Flash Point 110.252 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 783303-73-1 (4-(aminomethyl)tetrahydro-2H-pyran-4-ol) Hazard Symbols Xn
Synonyms

4-(Aminomethyl)tetrahydro-2H-pyran-4-ol;4-Aminomethyltetrahydropyran-4-ol;

Article Data 7

4-(Aminomethyl)tetrahydro-2H-pyran-4-ol Specification

The 4-(Aminomethyl)tetrahydro-2H-pyran-4-ol, with cas registry number 783303-73-1, has the systematic name of 4-(aminomethyl)tetrahydropyran-4-ol. And it is also called 2H-pyran-4-ol, 4-(aminomethyl)tetrahydro-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 55.48 Å2; (10)Index of Refraction: 1.496; (11)Molar Refractivity: 34.389 cm3; (12)Molar Volume: 117.658 cm3; (13)Polarizability: 13.633×10-24cm3; (14)Surface Tension: 47.756 dyne/cm; (15)Enthalpy of Vaporization: 57.646 kJ/mol; (16)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: C1COCCC1(CN)O
(2)InChI: InChI=1/C6H13NO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
(3)InChIKey: CGPIFQOTBHKPNM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H13NO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
(5)Std. InChIKey: CGPIFQOTBHKPNM-UHFFFAOYSA-N

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