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Home> Encyclopedia >   /  Fertilizer  /  Pharmaceutical Intermediates  /  Food Additives  /  Pharmaceutical  /  Vitamins, Amino Acids and Coenzymes
N-Propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide structure
N-Propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide structure

N-Propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Iupac Name:2-aminoacetic acid
CAS No.:56-40-6
Molecular Weight:75.07
1. Names and Identifiers
1.1 Name
N-Propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
1.2 CAS No.
56-40-6
1.3 CID
750
1.4 Molecular Formula
C7H7BBRNO3 (isomer)
1.5 Inchi
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
1.6 InChkey
DHMQDGOQFOQNFH-UHFFFAOYSA-N
1.7 Canonical Smiles
C(C(=O)O)N
1.8 Isomers Smiles
C(C(=O)O)N
2. 3D Conformer
3. Properties
3.1 Density
1.10±0.1 g/cm3(Predicted)
3.2 Melting Point
240 °C (dec.)(lit.)
3.3 Refractive Index
1.4264 (estimate)
4. Safety and Handling
4.1 Risk Statements
33
4.2 Safety Statements
22-24/25
4.3 Transport
25kgs
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:75.07g/mol
  • Molecular Formula:C7H7BBRNO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.2
  • Exact Mass:75.032
  • Monoisotopic Mass:75.032
  • Complexity:42.9
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:5
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACABAAgAI AACQCAAAAAAAAAAAAICAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Question & Answer
  • From a salt of a carboxylic acid’s perspective, two molecules of glycine exist for every magnesium ion. Hence, two moles per mole of magnesium
  • I came upon the following statement in a true/false question: Glycine can be esterified by an alcohol in the presence of inorganic acid Is this statement correct? Glycine contains the basic − N H X 2 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" ...
  • How many dipeptides are possible by the reaction of glycine and alanine? Glycine has no chiral centre. Alanine has one chiral centre. The products are alanylglycine and glycinylalanine (I not sure whether this is the correct name or not. Please excuse), and I got a total of 4 isomers for each, (usi...
  • The question is to find out the pH of 0.01   M " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" 0.01 M 0.01 M glycine solution. It is given that K a 1 = 4.5 ⋅ 10 − 3 " style="position: relative;" tabindex="0" id="MathJax-Element-...
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