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2-(Aminomethyl)-1-ethylpyrrolidine

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Name

2-(Aminomethyl)-1-ethylpyrrolidine

EINECS 247-466-3
CAS No. 26116-12-1 Density 0.902 g/cm3
PSA 29.26000 LogP 1.06760
Solubility N/A Melting Point N/A
Formula C7H16N2 Boiling Point 161.901 °C at 760 mmHg
Molecular Weight 128.217 Flash Point 60.556 °C
Transport Information UN 1993 3/PG 3 Appearance clear yellow liquid
Safety 26-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 26116-12-1 (2-(Aminomethyl)-1-ethylpyrrolidine) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Pyrrolidine,2-(aminomethyl)-1-ethyl- (7CI,8CI);(1-Ethyl-2-pyrrolidinyl)methylamine;1-(1-Ethylpyrrolidin-2-yl)methanamine;1-Ethyl-2-(aminomethyl)pyrrolidine;1-Ethyl-2-pyrrolidinemethylamine;2-(Aminomethyl)-1-ethylpyrrolidine;N-Ethyl-2-(aminomethyl)pyrrolidine;

Article Data 19

2-(Aminomethyl)-1-ethylpyrrolidine Specification

The 2-Pyrrolidinemethanamine,1-ethyl-, with the CAS registry number 26116-12-1, is also known as 1-Ethylpyrrolidin-2-ylmethylamine. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. Its EINECS number is 247-466-3. This chemical's molecular formula is C7H16N2 and molecular weight is 128.22. What's more, its systematic name is 1-(1-Ethyl-2-pyrrolidinyl)methanamine. This chemical is used to as pharmaceutical intermediates.

Physical properties of 2-Pyrrolidinemethanamine,1-ethyl- are: (1)ACD/LogP: 0.433; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.66; (4)ACD/LogD (pH 7.4): -3.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.26 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 39.569 cm3; (15)Molar Volume: 142.093 cm3; (16)Polarizability: 15.686×10-24cm3; (17)Surface Tension: 30.82 dyne/cm; (18)Density: 0.902 g/cm3; (19)Flash Point: 60.556 °C; (20)Enthalpy of Vaporization: 39.847 kJ/mol; (21)Boiling Point: 161.901 °C at 760 mmHg; (22)Vapour Pressure: 2.22 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-ethyl-2-nitromethyl-pyrrolidine at the temperature of 85 °C. This reaction will need reagent hydrogen and solvent methanol with the reaction time of 5 hours. This reaction will also need catalyst Raney nickel. The yield is about 76%.

2-Pyrrolidinemethanamine,1-ethyl- can be prepared by 1-ethyl-2-nitromethyl-pyrrolidine at the temperature of 85 °C

Uses of 2-Pyrrolidinemethanamine,1-ethyl-: it can be used to produce 2-(1-ethyl-pyrrolidin-2-ylmethyl)-isoindole-1,3-dione by heating. It will need reagent pyridinium p-toluenesulfonate and solvent dimethylformamide. The yield is about 76%.

2-Pyrrolidinemethanamine,1-ethyl- can be used to produce 2-(1-ethyl-pyrrolidin-2-ylmethyl)-isoindole-1,3-dione by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: NCC1N(CC)CCC1
(2)Std. InChI: InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
(3)Std. InChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-N

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