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S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde

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Name

S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde

EINECS N/A
CAS No. 63126-45-4 Density 1.098 g/cm3
PSA 29.54000 LogP 0.82740
Solubility N/A Melting Point N/A
Formula C7H13NO2 Boiling Point 265.307 °C at 760 mmHg
Molecular Weight 143.186 Flash Point 100.835 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 63126-45-4 ((S)-(-)-2-(METHOXYMETHYL)-1-PYRROLIDINECARBOXALDEHYDE) Hazard Symbols IrritantXi
Synonyms

1-Pyrrolidinecarboxaldehyde,2-(methoxymethyl)-, (S)-;

Article Data 6

S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde Specification

The (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde, with the CAS registry number 63126-45-4, is also known as 2-(Methoxymethyl)-1-pyrrolidinecarbaldehyde. It belongs to the product categories of Aldehyde; Asymmetric Synthesis; Synthetic Organic Chemistry. This chemical's molecular formula is C7H13NO2 and molecular weight is 143.18. Its IUPAC name is called 2-(methoxymethyl)pyrrolidine-1-carbaldehyde.

Physical properties of (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 39.694 cm3; (14)Molar Volume: 130.289 cm3; (15)Surface Tension: 43.336 dyne/cm; (16)Density: 1.099 g/cm3; (17)Flash Point: 100.835 °C; (18)Enthalpy of Vaporization: 50.323 kJ/mol; (19)Boiling Point: 265.307 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COCC1CCCN1C=O
(2)InChI: InChI=1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3
(3)InChIKey: JNIOQRWRORXADR-UHFFFAOYSA-N

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