3, 6- Dibromo- α- [[(4- bromophenyl) amino] methyl] -9H- carbazole- 9- ethanol - CAS 328076-93-3

Catalog:	BB068145
Product Name:	3, 6- Dibromo- α- [[(4- bromophenyl) amino] methyl] -9H- carbazole- 9- ethanol
CAS:	328076-93-3
Synonyms:	1-(4-Bromoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

Technical Data

IUPAC Name:	1-(4-bromoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
Description:	3, 6- Dibromo- α- [[(4- bromophenyl) amino] methyl] -9H- carbazole- 9- ethanol acts as a reagent for the synthesis of carbazolyaminopropanosl and other related compounds as pro-neurogenic and anit-depression compounds.
Molecular Weight:	553.08
Molecular Formula:	C21H17Br3N2O
Canonical SMILES:	C1=CC(=CC=C1NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O)Br
InChI:	InChI=1S/C21H17Br3N2O/c22-13-1-5-16(6-2-13)25-11-17(27)12-26-20-7-3-14(23)9-18(20)19-10-15(24)4-8-21(19)26/h1-10,17,25,27H,11-12H2
InChI Key:	UXKLJRMGMUBVRB-UHFFFAOYSA-N
References:	McKnight, S. L., et al. Pat. Appl. Publ. (2014), US 20140343018 A1 20141120.

Complexity:	462
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	551.88705
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	549.8891
Rotatable Bond Count:	5
Topological Polar Surface Area:	37.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	6.4