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Name |
Tetrahydro-2H-pyran-3-amine |
EINECS | N/A |
CAS No. | 120811-32-7 | Density | 0.963 g/cm3 |
PSA | 35.25000 | LogP | 0.82440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H11NO | Boiling Point | 151.357 °C at 760 mmHg |
Molecular Weight | 101.148 | Flash Point | 49.266 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes |
Xi:; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(Tetrahydro-2H-pyran-3-yl)amine;3-Aminotetrahydropyran; |
Article Data | 1 |
The 2H-Pyran-3-amine,tetrahydro-, with the CAS registry number 120811-32-7, has the systematic name and IUPAC name of tetrahydro-2H-pyran-3-amine. It is a kind of irritant chemical, and the molecular formula of the chemical is C5H11NO.
The characteristics of 2H-Pyran-3-amine,tetrahydro- are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.54; (4)ACD/LogD (pH 7.4): -2.91; (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: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 28.21 cm3; (15)Molar Volume: 105 cm3; (16)Polarizability: 11.18×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.962 g/cm3; (19)Flash Point: 49.3 °C; (20)Enthalpy of Vaporization: 38.82 kJ/mol; (21)Boiling Point: 151.4 °C at 760 mmHg; (22)Vapour Pressure: 3.68 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1CCCC(N)C1
(2)InChI: InChI=1/C5H11NO/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
(3)InChIKey: WUUOEJJGRCQGBQ-UHFFFAOYAN