CAS: 696-40-2
Name: (3-iodophenyl)methanamine
SMILES:
NCc1cccc(I)c1Molecular Processing
Molecular formula
C7H8IN
Molecular weight
233.05
Exact mass
232.9701
XLogP
1.75
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
47.05
Supplementary Information
InChIKey: LQLOGZQVKUNBRX-UHFFFAOYSA-N
Synonyme
3-Iodobenzylamine696-40-2meta-IodobenzylamineBenzenemethanamine, 3-iodo-3-Iodobenzenemethanamine22ZQU8JR7CNSC-96895DTXSID80219870RefChem:502762DTXCID30142361625-616-2(3-iodophenyl)methanamine3-Iodobenzyl amine1-(3-iodophenyl)methanamineMFCD00192227m-iodobenzylamine3-Iodo-benzylamineNSC 968953-iodo-benzenemethanamine(3-iodophenyl)methylamine3-Iodobenzylamine, 96%UNII-22ZQU8JR7C(3-Iodo-phenyl)methanamineCHEMBL39635SCHEMBL156276SCHEMBL640239SCHEMBL27324388SCHEMBL27802180SCHEMBL27891085SCHEMBL29439586
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