Home Boronic Acids 1227612-21-6
1227612-21-6,MFCD18382846
Catalog No.:AA000JCJ
1227612-21-6 | Boronic acid, B-[6-(hexahydro-1H-azepin-1-yl)-3-pyridinyl]-
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1g
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5g
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000JCJ
Chemical Name:
Boronic acid, B-[6-(hexahydro-1H-azepin-1-yl)-3-pyridinyl]-
CAS Number:
1227612-21-6
Molecular Formula:
C11H17BN2O2
Molecular Weight:
220.0759
MDL Number:
MFCD18382846
IUPAC Name:
[6-(azepan-1-yl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C11H17BN2O2/c15-12(16)10-5-6-11(13-9-10)14-7-3-1-2-4-8-14/h5-6,9,15-16H,1-4,7-8H2
InChI Key:
WYQGUMHHNOVNPD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)N1CCCCCC1)O
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.138g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.079g/mol
Monoisotopic Mass:
220.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1227612-21-6 
(6-(Azepan-1-yl)pyridin-3-yl)boronic acid 
ZINC169746338 
OR360659 
AX8230226 
TC-106788 
ST24020645 
Z8662 
A-2662 
I02-3513 
Boronic acid, B-[6-(hexahydro-1H-azepin-1-yl)-3-pyridinyl]- 
C11H17BN2O2 
6-(Azepan-1-yl)pyridine-3-boronic acid 
(6-(Azepan-1-yl)pyridin-3-yl)boronicacid 
[6-(azepan-1-yl)pyridin-3-yl]boronic acid 
ACMC-209aml 
CTK8A9527 
DTXSID70716560 
ANW-18043 
MFCD18382846 
AKOS015892219 
Literature
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