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6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine structure
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine structure

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

Iupac Name:6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
CAS No.:882670-92-0
Molecular Weight:271.12262
1. Names and Identifiers
1.1 Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
1.2 Synonyms

(2-AMINOQUINAZOLIN-6-YL)BORONIC ACID PINACOL ESTER 2-Amino-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-quinazoline 2-Aminoquinazoline-6-boronic acid pinacol ester 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-quinazolinamine 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

1.3 CAS No.
882670-92-0
1.4 CID
16086138
1.5 Molecular Formula
C14H18BN3O2 (isomer)
1.6 Inchi
InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-17-12(16)18-11/h5-8H,1-4H3,(H2,16,17,18)
1.7 InChkey
IDNQSRDVCZCUAJ-UHFFFAOYSA-N
1.8 Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN=C(N=C3C=C2)N
1.9 Isomers Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN=C(N=C3C=C2)N
2. Properties
3.1 Density
1.19
3.1 Boiling point
473.5±37.0 °C(Predicted)
3.1 Precise Quality
271.14900
3.1 PSA
70.99000
3.1 logP
1.44130
3.1 pKa
4.97±0.26(Predicted)
4. Precursor and Product
5. Computational chemical data
  • Molecular Weight:271.12262g/mol
  • Molecular Formula:C14H18BN3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:271.1492070
  • Monoisotopic Mass:271.1492070
  • Complexity:361
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:70.3
  • Heavy Atom Count:20
  • 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
6. Recommended Suppliers
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  • Products:Pharmaceutical Discovery
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6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2014/09/14
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  • Tel:0086-371-67991738
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/26
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