Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Aminomethyl)tetrahydro-2H-pyran |
EINECS | 638-888-2 |
CAS No. | 130290-79-8 | Density | 0.942 g/cm3 |
PSA | 35.25000 | LogP | 1.07200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H13NO | Boiling Point | 180.1 °C at 760 mmHg |
Molecular Weight | 115.175 | Flash Point | 64.9 °C |
Transport Information | 2735 | Appearance | clear colorless liquid |
Safety | 26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi, C | |
Synonyms |
(Tetrahydro-2H-pyran-4-yl)methanamine;1-(Tetrahydro-2H-pyran-4-yl)methanamine;4-(Aminomethyl)tetrahydro-2H-pyran;4-Aminomethyltetrahydropyran;[(Tetrahydro-2H-pyran-4-yl)methyl]amine;[(Tetrahydropyran-4-yl)methyl]amine; |
Article Data | 9 |
The IUPAC name of 4-(Aminomethyl)tetrahydro-2H-pyran is oxan-4-ylmethanamine. With the CAS registry number 130290-79-8, it is also named as 1-(Tetrahydro-2H-pyran-4-yl)methanamine. The product's categories are Amines; Blocks; Heterocycles; Aminomethyl's; Pyrans, Piperidines & Piperazines. It is clear colorless liquid.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 32.893 cm3; (12)Molar Volume: 122.24 cm3; (13)Polarizability: 13.04×10-24 cm3; (14)Surface Tension: 35.408 dyne/cm; (15)Enthalpy of Vaporization: 41.634 kJ/mol; (16)Vapour Pressure: 0.912 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 115.099714; (19)MonoIsotopic Mass: 115.099714; (20)Topological Polar Surface Area: 35.2; (21)Heavy Atom Count: 8; (22)Complexity: 59.5.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:C1COCCC1CN
2. InChI:InChI=1/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
3. InChIKey:IPBPLHNLRKRLPJ-UHFFFAOYAB