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cis-2,6-Dimethylmorpholine

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Name

cis-2,6-Dimethylmorpholine

EINECS 229-353-0
CAS No. 6485-55-8 Density 0.862 g/cm3
PSA 21.26000 LogP 0.71200
Solubility N/A Melting Point -85 °C
Formula C6H13NO Boiling Point 146.6 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 48.9 °C
Transport Information UN 1993 Appearance clear colorless liquid
Safety 45-36/37/39-26-23 Risk Codes 34-21/22-10
Molecular Structure Molecular Structure of 6485-55-8 (cis-2,6-Dimethylmorpholine) Hazard Symbols CorrosiveC
Synonyms

Morpholine,2,6-dimethyl-, cis- (8CI);(2R,6S)-2,6-Dimethylmorpholine;cis-(2R,6S)-2,6-Dimethylmorpholine;cis-(2S,6R)-Dimethylmorpholine;

Article Data 6

cis-2,6-Dimethylmorpholine Specification

The IUPAC name of Morpholine,2,6-dimethyl-, (2R,6S)-rel- is 2,6-dimethylmorpholine. With the CAS registry number 6485-55-8 and EINECS 229-353-0, it is also named as cis-2,6-Dimethylmorpholine. The product's category is Amines and Anilines. It is clear colorless liquid which is used as pharmaceutical intermediate to synthetize Amorolfine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.06; (4)ACD/LogD (pH 7.4): -1.74; (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: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.406; (13)Molar Refractivity: 32.81 cm3; (14)Molar Volume: 133.5 cm3; (15)Polarizability: 13×10-24 cm3; (16)Surface Tension: 24.2 dyne/cm; (17)Enthalpy of Vaporization: 38.36 kJ/mol; (18)Vapour Pressure: 4.6 mmHg at 25°C; (19)Exact Mass: 115.099714; (20)MonoIsotopic Mass: 115.099714; (21)Topological Polar Surface Area: 21.3; (22)Heavy Atom Count: 8; (23)Complexity: 66.9.

Uses of Morpholine,2,6-dimethyl-, (2R,6S)-rel-: It can react with (S)-(+)-2-(4-tert-butylbenzyl)-1-chloropropane to get Fenpropimorph. This reaction needs reagent dimethylformamide at temperature of 120 °C. The reaction time is 3 hours. The yield is 88%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and can cause burns. It is also harmful by inhalation and in contact with skin. So people should not breathe vapour. 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. 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:O1[C@@H](C)CNC[C@H]1C
2. InChI:InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
3. InChIKey:HNVIQLPOGUDBSU-OLQVQODUBI

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