2-IODO-4,5-DIMETHYLBENZENAMINE

CAT: 0127-OR75954-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR75954-01Size:250 mg

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CAS Number

117832-17-4

MDL Number

MFCD07779006

Purity

97%

Smiles

NC1=CC(C)=C(C=C1I)C

Chemical Information

2-Iodo-4,5-dimethylaniline

CAS Number	117832-17-4
PubChem CID	14040291
IUPAC Name	2-iodo-4,5-dimethylaniline
Molecular Formula	C8H10IN
Molecular Weight	247.08
XLogP	2.6
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC1=CC(=C(C=C1C)I)N

InChI

InChI=1S/C8H10IN/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,10H2,1-2H3

InChIKey

ZAVYUORHSOSKGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117832-17-4

CID: 14040291

Formula: C8H10IN

MW: 247.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.08
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	246.98580
Monoisotopic Mass	246.98580
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1097189	2,4-Dichloro-3,5-dimethylbenzenamine
OR1092080	2-Bromo-3,5-dimethylbenzenamine
OR1092800	2-iodo-4,5-dimethoxyaniline
OR1064147-01	2-Iodo-4,5-dimethoxybenzaldehyde
OR1095632	5-iodo-2,4-dimethoxybenzaldehyde
OR1010494-01	2-Iodo-4,5-Dimethylbenzaldehyde
OR74173	5-Iodo-2,4-dimethoxypyrimidine
OR91864-01	4-Iodo-2,5-dimethoxybenzaldehyde
OR1080284	2-Iodo-4,5-dimethylphenol
OR1080050-01	5-Iodo-2,4-dimethylbenzaldehyde

Catalog	Name
TRC-D930530-50MG	2-[(2,4-Dimethylphenyl)thio]-4,5-dimethylbenzenamine Hydrochloride
TRC-I705195-100MG	4-Iodo-2,5-dimethoxybenzeneethanamine
sc-267575	4-Iodo-2,5-dimethylphenol
BKD16154-01	4-Iodo-2,5-dimethylbenzaldehyde
FI08022-01	5-Iodo-2,4-dimethoxypyrimidine
280371-01	2-Iodo-4,5-dimethoxybenzaldehyde
FH HG 0062-01	Methyl 4-iodo-2- (5-iodo-2-methoxycarbonylphenyl) benzoate
KCD02853-01	2-Cyclopropyl-5-iodo-4-methylpyrimidine
HDA58397-01	4-Benzyloxy-2-iodo-5-methoxybenzaldehyde
VXC71120-01	2-Fluoro-5-iodo-4-methylaniline