1-[2-bis[2-(dimethylaminomethyl)phenyl]boranylphenyl]-N,N-dimethyl-methanamine hydrate

Systemtic Name: 1-[2-bis[2-(dimethylaminomethyl)phenyl]boranylphenyl]-N,N-dimethyl-methanamine hydrate Openeye Name: 1-[2-bis[2-(dimethylaminomethyl)phenyl]boranylphenyl]-N,N-dimethyl-methanamine hydrate CAS Name: 1-[2-bis[2-(dimethylaminomethyl)phenyl]boranylphenyl]-N,N-dimethylmethanamine hydrate IUPAC Name: 1-[2-bis[2-(dimethylaminomethyl)phenyl]boranylphenyl]-N,N-dimethylmethanamine hydrate Traditional Name: [2-bis[2-(dimethylaminomethyl)phenyl]boranylbenzyl]-dimethyl-amine hydrate Formula: C27H38BN3O MolecularWeight: 431.42112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1CN(C)C)(C2=CC=CC=C2CN(C)C)C3=CC=CC=C3CN(C)C.O

Isomeric SMILES

B(C1=CC=CC=C1CN(C)C)(C2=CC=CC=C2CN(C)C)C3=CC=CC=C3CN(C)C.O

InChI

InChI=1S/C27H36BN3.H2O/c1-29(2)19-22-13-7-10-16-25(22)28(26-17-11-8-14-23(26)20-30(3)4)27-18-12-9-15-24(27)21-31(5)6;/h7-18H,19-21H2,1-6H3;1H2