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1218789-35-5 | 2-Pyrimidinamine, N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218789-35-5 Catalog No: AG00166I MDL No:MFCD12546564
Product Description
Catalog Number:
AG00166I
Chemical Name:
2-Pyrimidinamine, N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218789-35-5
Molecular Formula:
C16H26BN3O2
Molecular Weight:
303.2075
MDL Number:
MFCD12546564
IUPAC Name:
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)12-10-18-14(19-11-12)20-13-8-6-5-7-9-13/h10-11,13H,5-9H2,1-4H3,(H,18,19,20)
InChI Key:
BESJXVWUOFEXIH-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CCCCC1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.212g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.213g/mol
Monoisotopic Mass:
303.212g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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