4-(aminomethyl)benzeneselenol

C7H9NSe — CID 174483296

IUPAC4-(aminomethyl)benzeneselenol
SMILESNCc1ccc([SeH])cc1
InChIInChI=1S/C7H9NSe/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2
InChIKeyBJEPLLILFMPAHQ-UHFFFAOYSA-N
MW186.12 g/mol
LogP-0.33
Rot. Bonds1

About 4-(aminomethyl)benzeneselenol

4-(aminomethyl)benzeneselenol (PubChem CID 174483296) has the molecular formula C7H9NSe and a molecular weight of 186.12 g/mol. Its IUPAC name is 4-(aminomethyl)benzeneselenol.

Molecular Properties

Compound Name4-(aminomethyl)benzeneselenol
PubChem CID174483296
Molecular FormulaC7H9NSe
Molecular Weight186.12 g/mol
Exact Mass186.99
IUPAC Name4-(aminomethyl)benzeneselenol
SMILESNCc1ccc([SeH])cc1
InChIInChI=1S/C7H9NSe/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2
InChIKeyBJEPLLILFMPAHQ-UHFFFAOYSA-N
XLogP-0.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
(4-dichlorophosphanylphenyl)methanamine
CID 150021322
[4-(bromomethyl)phenyl]methanamine
CID 24721042
(4-phosphanylphenyl)methanamine
CID 21334668
CID 153380719
CID 153380719
phenylmethanamine
CID 19864074
(4-phosphanylphenyl)methanamine;hydrate
CID 174933242
4-(aminomethyl)benzenediazonium
CID 21133492
ethane;(4-fluorophenyl)methanamine
CID 142071105
CID 153380718
CID 153380718
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;titanium(2+)
CID 21287655

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzeneselenol?
The IUPAC name of 4-(aminomethyl)benzeneselenol (CID 174483296) is 4-(aminomethyl)benzeneselenol.
What is the SMILES notation for 4-(aminomethyl)benzeneselenol?
The canonical SMILES for 4-(aminomethyl)benzeneselenol is NCc1ccc([SeH])cc1.
What is the InChIKey of 4-(aminomethyl)benzeneselenol?
The InChIKey is BJEPLLILFMPAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NSe/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2.
What are the key properties of 4-(aminomethyl)benzeneselenol?
4-(aminomethyl)benzeneselenol has a molecular weight of 186.12 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzeneselenol is sourced from PubChem (CID 174483296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).