CAS No.121492-06-6,N-Boc-N-methylethylenediamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121492-06-6
Name:	N-Boc-N-methylethylenediamine

Formula:	C₈H₁₈N₂O₂
Molecular Weight:	174.243
Synonyms:	N-(2-Aminoethyl)-N-methyl-N-(tert-butoxycarbonyl)amine;N-(2-Aminoethyl)-N-methylcarbamic acid tert-butyl ester;2-methylpropan-2-ylN-(2-aminoethyl)-N-methylcarbamate;Carbamicacid, (2-aminoethyl)methyl-, 1,1-dimethylethyl ester (9CI);2-Aminoethyl(methyl)carbamic acid tert-butyl ester;tert-Butyl 2-aminoethyl(methyl)carbamate;tert-Butyl N-(2-aminoethyl)-N-(methyl)carbamate;tert-Butyl N-methyl-N-(2-aminoethyl)carbamate;
Density:	0.995 g/cm³
Melting Point:	248-251 °C (decomp)
Boiling Point:	234.2 °C at 760 mmHg
Flash Point:	95.4 °C
Appearance:	Liquid
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39
Transport Information:	UN 2734
PSA:	55.56000
LogP:	1.51230

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Specification

The Carbamic acid,N-(2-aminoethyl)-N-methyl-, 1,1-dimethylethyl ester, with the CAS registry number 121492-06-6, is also known as 2-Aminoethyl(methyl)carbamic acid tert-butyl ester. It belongs to the product category of Small molecule. This chemical's molecular formula is C₈H₁₈N₂O₂ and molecular weight is 174.24. What's more, its systematic name is tert-butyl (2-aminoethyl)methylcarbamate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of Carbamic acid,N-(2-aminoethyl)-N-methyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.78; (4)ACD/LogD (pH 7.4): -0.2; (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): 5.03; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 48.1 cm³; (15)Molar Volume: 175 cm³; (16)Polarizability: 19.07×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.995 g/cm³; (19)Flash Point: 95.4 °C; (20)Enthalpy of Vaporization: 47.09 kJ/mol; (21)Boiling Point: 234.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0536 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methyl-ethane-1,2-diamine and di-tert-butyl dicarbonate at the temperature of 0 °C. This reaction will need solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 51%.

Carbamic acid,N-(2-aminoethyl)-N-methyl-, 1,1-dimethylethyl ester can be prepared by N-methyl-ethane-1,2-diamine and di-tert-butyl dicarbonate at the temperature of 0 °C

Uses of Carbamic acid,N-(2-aminoethyl)-N-methyl-, 1,1-dimethylethyl ester: it can be used to produce [2-(tert-butoxycarbonyl-methyl-amino)-ethyl]-carbamic acid benzyl ester at the temperature of 0 - 20 °C. It will need reagent Na₂CO₃ and solvents dioxane, H₂O with the reaction time of 4 hours. The yield is about 54%.

Carbamic acid,N-(2-aminoethyl)-N-methyl-, 1,1-dimethylethyl ester can be used to produce [2-(tert-butoxycarbonyl-methyl-amino)-ethyl]-carbamic acid benzyl ester at the temperature of 0 - 20 °C

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)CCN
(2)Std. InChI: InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3
(3)Std. InChIKey: QYJVBVKFXDHFPQ-UHFFFAOYSA-N