5-Bromo-N1-isopropyl-1,2-benzenediamine - CAS 1038408-35-3

Catalog:	BB001232
Product Name:	5-Bromo-N1-isopropyl-1,2-benzenediamine
CAS:	1038408-35-3
Synonyms:	4-bromo-N2-propan-2-ylbenzene-1,2-diamine; 4-bromo-2-N-propan-2-ylbenzene-1,2-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-N-propan-2-ylbenzene-1,2-diamine
Description:	5-Bromo-N1-isopropyl-1,2-benzenediamine (CAS# 1038408-35-3) is a useful research chemical.
Molecular Weight:	229.12
Molecular Formula:	C9H13BrN2
Canonical SMILES:	CC(C)NC1=C(C=CC(=C1)Br)N
InChI:	InChI=1S/C9H13BrN2/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3
InChI Key:	OXYJCZYMCDLXRM-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	3.50580

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Related Functional Groups

Amines and Anilines

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Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.02621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.02621
Rotatable Bond Count:	2
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7