CAS No.26690-80-2,TERT-BUTYL N-(2-HYDROXYETHYL)CARBAMATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26690-80-2
Name:	TERT-BUTYL N-(2-HYDROXYETHYL)CARBAMATE
Article Data:	5

Formula:	C₇H₁₅NO₃
Molecular Weight:	161.201
Synonyms:	Carbamicacid, (2-hydroxyethyl)-, 1,1-dimethylethyl ester (9CI);Carbamic acid,(2-hydroxyethyl)-, tert-butyl ester (7CI,8CI);(2-Hydroxyethyl)carbamic acid1,1-dimethylethyl ester;(2-Hydroxyethyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl(2-hydroxyethyl)carbamate;2-(N-tert-Butoxycarbonylamino)ethanol;2-(tert-Butoxycarbonylamino)ethanol;2-[(tert-Butyloxycarbonyl)amino]ethanol;2-t-Butoxycarbonylaminoethanol;N-(2-Hydroxyethyl)carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-2-aminoethanol;N-(tert-Butoxycarbonyl)-2-hydroxyethylamine;N-(tert-Butoxycarbonyl)ethanolamine;N-BOC-ethanolamine;N-tert-Butoxycarbonylglycinol;tert-Butyl(2-hydroxyethyl)carbamate;tert-Butyl N-(2-hydroxyethyl)carbamate;Boc-Gly-ol;
EINECS:	675-176-0
Density:	1.047 g/cm³
Boiling Point:	267.2 °C at 760 mmHg
Flash Point:	115.4 °C
Solubility:	Soluble in water or 1% acetic acid. Soluble in ethyl acetate and methanol.
Appearance:	Light yellow clear liquid
Hazard Symbols:	T
Risk Codes:	25-37/38-41-36/37/38-23/24/25
Safety:	26-39-45-36/37/39
Transport Information:	UN 2810 6.1/PG 3
PSA:	58.56000
LogP:	0.89430

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Specification

The CAS register number of Carbamicacid, N-(2-hydroxyethyl)-, 1,1-dimethylethyl ester is 26690-80-2. It also can be called as N-Boc-ethanolamine and the IUPAC name about this chemical is tert-butyl N-(2-hydroxyethyl)carbamate. The molecular formula about this chemical is C₇H₁₅NO₃and the molecular weight is 161.20. It belongs to the following product categories, such as Miscellaneous Natural Products; Amino Acids; Amino Alcohols; Boc-Amino acid series and so on.

Physical properties about Carbamicacid, N-(2-hydroxyethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.49; (2)ACD/LogD (pH 5.5): 0.49; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1.38; (5)ACD/BCF (pH 7.4): 1.38; (6)ACD/KOC (pH 5.5): 43.91; (7)ACD/KOC (pH 7.4): 43.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å²; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 41.34 cm³; (14)Molar Volume: 153.9 cm³; (15)Polarizability: 16.39x10^-24cm³; (16)Surface Tension: 35.2 dyne/cm; (17)Enthalpy of Vaporization: 58.67 kJ/mol; (18)Boiling Point: 267.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00112 mmHg at 25°C.

Preparation: this chemical can be prepared by N-tert-butoxycarbonyl-glycine. This reaction will need reagent B₂H₆.

Uses of Carbamicacid, N-(2-hydroxyethyl)-, 1,1-dimethylethyl ester: it can be used to produce Carbamic acid 2-bromoethyl-t-butyl ester. This reaction will need reagent triphenylphosphine, carbon tetrabromide and solvent acetonitrile, tetrahydrofuran with reaction time of 6 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it is toxic by inhalation, in contact with skin and if swallowed, it has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCO
(2)InChI: InChI=1/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
(3)InChIKey: GPTXCAZYUMDUMN-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
(5)Std. InChIKey: GPTXCAZYUMDUMN-UHFFFAOYSA-N