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1234563-16-6 | 1-Propanol, 3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-, hydrochloride (1:1)
CAS No: 1234563-16-6 Catalog No: AG000KLZ MDL No:
Product Description
Catalog Number:
AG000KLZ
Chemical Name:
1-Propanol, 3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-, hydrochloride (1:1)
CAS Number:
1234563-16-6
Molecular Formula:
C11H17BClNO4
Molecular Weight:
273.5210
IUPAC Name:
3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol;hydrochloride
InChI:
InChI=1S/C11H16BNO4.ClH/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10;/h1,3-4,10,14-15H,2,5-7,13H2;1H/t10-;/m1./s1
InChI Key:
DADYQGIQOBJGIW-HNCPQSOCSA-N
SMILES:
OCCCOc1cccc2c1B(O)O[C@@H]2CN.Cl
UNII:
MM0NZY12FA
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.52g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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