Name: Name:2-[(4-benzylpiperazin-1-yl)methyl]-5-bromoaniline
Brand: Angene
SKU: AG01BXIR
Rating: 90 (10 reviews)

2-[(4-benzylpiperazin-1-yl)methyl]-5-bromoaniline

CAS No.:

1871163-99-3

Catalog Number:

AG01BXIR

Molecular Formula:

C18H22BrN3

Molecular Weight:

360.2914

Catalog Number:

AG01BXIR

Chemical Name:

2-[(4-benzylpiperazin-1-yl)methyl]-5-bromoaniline

CAS Number:

1871163-99-3

Molecular Formula:

C18H22BrN3

Molecular Weight:

360.2914

MDL Number:

MFCD30487825

IUPAC Name:

2-[(4-benzylpiperazin-1-yl)methyl]-5-bromoaniline

InChI:

InChI=1S/C18H22BrN3/c19-17-7-6-16(18(20)12-17)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,20H2

InChI Key:

BFMAXTRHGDZETQ-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)N)CN1CCN(CC1)Cc1ccccc1

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.299g/mol

Monoisotopic Mass:

359.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1