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1256360-57-2 | Benzenemethanamine, N-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256360-57-2 Catalog No: AG000O8F MDL No:MFCD18087738
Product Description
Catalog Number:
AG000O8F
Chemical Name:
Benzenemethanamine, N-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256360-57-2
Molecular Formula:
C18H28BNO2
Molecular Weight:
301.2314
MDL Number:
MFCD18087738
IUPAC Name:
N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine
InChI:
InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-12-8-5-9-14(16)13-20-15-10-6-7-11-15/h5,8-9,12,15,20H,6-7,10-11,13H2,1-4H3
InChI Key:
UBTFPDKYHSIGED-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccccc1CNC1CCCC1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.221g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.237g/mol
Monoisotopic Mass:
301.221g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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