CAS No.4388-97-0,2-(AMINOMETHYL)-1,3-DIOXOLANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4388-97-0
Name:	2-(AMINOMETHYL)-1,3-DIOXOLANE

Formula:	C₄H₉NO₂
Molecular Weight:	103.121
Synonyms:	1,3-Dioxolane-2-methylamine(8CI);(1,3-Dioxolan-2-ylmethyl)amine;1-(1,3-Dioxolan-2-yl)methanamine;2-(Aminomethyl)-1,3-dioxolane;Aminoacetaldehyde ethylene acetal;N-(1,3-Dioxolan-2-ylmethyl)amine;
Density:	1.079 g/cm³
Boiling Point:	154.449 °C at 760 mmHg
Flash Point:	47.693 °C
Risk Codes:	11-36/37/38
Safety:	16-26-36
PSA:	44.48000
LogP:	0.01830

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Specification

The systematic name of 2-(Aminomethyl)-1,3-dioxolane is 1-(1,3-dioxolan-2-yl)methanamine. With the CAS registry number 4388-97-0, it is also named as 1,3-Dioxolane-2-methanamine. The product's categories are Dioxanes & Dioxolanes; Dioxolanes. Besides, it should be stored in sealed, dark, ventilated and dry place at room temperature. In addition, its molecular formula is C₄H₉NO₂ and molecular weight is 103.12.

The other characteristics of this chemical can be summarized as: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.48 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 25.275 cm³; (15)Molar Volume: 95.545 cm³; (16)Polarizability: 10.02×10^-24cm³; (17)Surface Tension: 41.647 dyne/cm; (18)Density: 1.079 g/cm³; (19)Flash Point: 47.693 °C; (20)Enthalpy of Vaporization: 39.121 kJ/mol; (21)Boiling Point: 154.449 °C at 760 mmHg; (22)Vapour Pressure: 3.176 mmHg at 25 °C.

Uses of 2-(Aminomethyl)-1,3-dioxolane: it can react with Benzenediazonium; hexafluoro phosphate((V) to get 3-(2-Methylene-1,3-dioxolanyl)-1-phenyltriazene.

This reaction needs K₂CO₃ and Dimethylformamide at temperature of 0-5 °C for 2 hours. The yield is 57 %.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O1CCOC1CN
(2)InChI: InChI=1/C4H9NO2/c5-3-4-6-1-2-7-4/h4H,1-3,5H2
(3)InChIKey: QXXRLUXAOFVOTE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4H9NO2/c5-3-4-6-1-2-7-4/h4H,1-3,5H2
(5)Std. InChIKey: QXXRLUXAOFVOTE-UHFFFAOYSA-N