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1218789-30-0 | 2-Pyrimidinamine, N-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218789-30-0 Catalog No: AG00166N MDL No:MFCD11878347
Product Description
Catalog Number:
AG00166N
Chemical Name:
2-Pyrimidinamine, N-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218789-30-0
Molecular Formula:
C17H22BN3O2
Molecular Weight:
311.1865
MDL Number:
MFCD11878347
IUPAC Name:
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C17H22BN3O2/c1-16(2)17(3,4)23-18(22-16)14-11-20-15(21-12-14)19-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,19,20,21)
InChI Key:
YPFKFMOXEMHELK-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NCc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.192g/mol
Monoisotopic Mass:
311.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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