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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceuticals and Biochemicals  /  Organic Intermediate  /  Others  /  Other Organic Chemicals
1-(2,6-dimethylphenoxy)-N-hydroxypropan-2-amine structure
1-(2,6-dimethylphenoxy)-N-hydroxypropan-2-amine structure

1-(2,6-dimethylphenoxy)-N-hydroxypropan-2-amine

Iupac Name:methylsulfinylmethane
CAS No.:67-68-5
Molecular Weight:78.13344
1. Names and Identifiers
1.1 Name
1-(2,6-dimethylphenoxy)-N-hydroxypropan-2-amine
1.2 Synonyms

1-(2,6-Dimethylphenoxy)-N-hydroxy-2-propanamine 2-propanamine, 1-(2,6-dimethylphenoxy)-n-hydroxy- AC1L4C4U n-[1-(2,6-dimethylphenoxy)propan-2-yl]hydroxylamine

1.3 CAS No.
67-68-5
1.4 CID
679
1.5 Molecular Formula
C17H23N2·CLO4 (isomer)
1.6 Inchi
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
1.7 InChkey
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
1.8 Canonical Smiles
CS(=O)C
1.9 Isomers Smiles
CS(=O)C
2. 3D Conformer
3. Properties
3.1 Density
0.958
3.2 Melting Point
18.4-19.0℃
3.3 Vapour
0.42 mm Hg at 68 °F (NTP, 1992)
3.4 Refractive Index
1.477-1.48
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S37/39
4.3 PackingGroup
Z01
4.4 Transport
无资料?
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:78.13344g/mol
  • Molecular Formula:C17H23N2·CLO4
  • Exact Mass:78.013936
  • Monoisotopic Mass:78.013936
  • Complexity:29
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:36.3
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
8. Question & Answer
  • Description Dimethyl sulfoxide is a sulfur-containing organic compound; molecule formula: (CH3) 2SO; It exhibits as colorless, odorless, hygroscopic and flammable transparent liquid at room temperature. It has both high polarity as well as high-boiling point. It also has aprotic and water-miscible ...
  • Dimethyl sulfoxide (DMSO) is an organosulfur compound with the formula (CH3)2SO. This colorless liquid is an important polar aprotic solvent that dissolves both polar and nonpolar compounds and is miscible in a wide range of organic solvents as well as water. It has a relatively high melting point....
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