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7144-50-5 | Borinic acid,diphenyl-, a-[(methylamino)methyl]benzylester (8CI)
CAS No: 7144-50-5 Catalog No: AG005IKV MDL No:
Product Description
Catalog Number:
AG005IKV
Chemical Name:
Borinic acid,diphenyl-, a-[(methylamino)methyl]benzylester (8CI)
CAS Number:
7144-50-5
Molecular Formula:
C21H22BNO
Molecular Weight:
315.2165
IUPAC Name:
2-diphenylboranyloxy-N-methyl-2-phenylethanamine
InChI:
InChI=1S/C21H22BNO/c1-23-17-21(18-11-5-2-6-12-18)24-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3
InChI Key:
KTSYHMWGYLJGJN-UHFFFAOYSA-N
SMILES:
CNCC(c1ccccc1)OB(c1ccccc1)c1ccccc1
NSC Number:
56708
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.223g/mol
Monoisotopic Mass:
315.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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