(2-Iodophenyl) methanamine hydrochloride

CAT: 0127-OR1038809-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1038809-01Size:1 g

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CAS Number

42365-45-7

MDL Number

MFCD06797869

Purity

96%

Smiles

C1=CC=C(C(=C1)CN)I.Cl

Chemical Information

o-Iodobenzylamine hydrochloride

CAS Number	42365-45-7
PubChem CID	3016347
IUPAC Name	(2-iodophenyl)methanamine;hydrochloride
Molecular Formula	C7H9ClIN
Molecular Weight	269.51
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	85

SMILES

C1=CC=C(C(=C1)CN)I.Cl

InChI

InChI=1S/C7H8IN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H

InChIKey

GAEPVUMSCPGMFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42365-45-7

CID: 3016347

Formula: C7H9ClIN

MW: 269.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.51
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	268.94682
Monoisotopic Mass	268.94682
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	85
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
RG-I150407-01	(3-Iodophenyl) Methanamine Hydrochloride
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DXC60540-01	(2-Chloro-4-iodophenyl) methanamine hydrochloride
QWC15620-01	(4-Chloro-2-iodophenyl) methanamine hydrochloride
KZB44002-01	(4-Fluorophenyl) (2-iodophenyl) methanamine hydrochloride
JHD93573-01	(2,4-Difluoro-5-iodophenyl) methanamine hydrochloride
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JBD31935-01	(3-Chloro-5-iodophenyl) methanamine hydrochloride
ZFA93679-01	(3-Chloro-4-iodophenyl) methanamine hydrochloride
FPD79882-01	(4-Chlorophenyl) (4-iodophenyl) methanamine hydrochloride