2-Iodo-N, N-dimethylaniline

CAT: 0127-OR1035062-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1035062-01Size:100 mg

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CAS Number

698-02-2

Purity

95%

Smiles

CN(C)C1=CC=CC=C1I

Chemical Information

2-iodo-N,N-dimethylaniline

CAS Number	698-02-2
PubChem CID	3013933
IUPAC Name	2-iodo-N,N-dimethylaniline
Molecular Formula	C8H10IN
Molecular Weight	247.08
XLogP	3.1
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	103

SMILES

CN(C)C1=CC=CC=C1I

InChI

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

InChIKey

DDQWSLFKVLTRDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 698-02-2

CID: 3013933

Formula: C8H10IN

MW: 247.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.08
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	246.98580
Monoisotopic Mass	246.98580
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	103
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
OR1040110-01	3-Iodo-N, N-dimethylaniline
OR89961-01	4-Iodo-N, N-dimethylaniline
OR1074298-01	2-Chloro-3-iodo-N, N-dimethylaniline
OR13074	3-Iodo-4-nitro-N, N-dimethylaniline
PC1010781	3-Fluoro-5-iodo-N, N-dimethylaniline
OR13075	4-Iodo-3-nitro-N, N-dimethylaniline
OR1082998-01	3-chloro-5-iodo-N, N-dimethylaniline
OR72269-01	4-Iodo-2,6-dimethylaniline
OR93289-01	3-Iodo-2,4-dimethylaniline
OR83204-01	3-Iodo-2,6-dimethylaniline

Catalog	Name
TRC-I719595-500MG	4-Iodo-N,N-dimethylaniline
TN9594-01	N,2-Dimethylaniline
sc-230060	2-Bromo-N, N-dimethylaniline
TRC-D464100-500ML	N,N-Dimethylaniline
RG-D091313-01	N, N-Dimethylaniline
sc-307736A	2-Chloro-N, N-dimethylaniline
459723-01	N,2-Dimethylaniline Hydrochloride
WYB72571	2- (Aminomethyl) -N, N-dimethylaniline dihydrochloride
BEA37410-01	N- (2-Aminoethyl) -N,3-dimethylaniline
sc-238415	2,6-Diisopropyl-N, N-dimethylaniline