(3-aminophenyl)azanium chloride

C6H9ClN2 — CID 139179659

IUPAC(3-aminophenyl)azanium chloride
SMILESNc1cccc([NH3+])c1.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H
InChIKeyVEGZHURRCWERMK-UHFFFAOYSA-N
MW144.60 g/mol
LogP-2.85
Rot. Bonds

About (3-aminophenyl)azanium chloride

(3-aminophenyl)azanium chloride (PubChem CID 139179659) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (3-aminophenyl)azanium chloride.

Molecular Properties

Compound Name(3-aminophenyl)azanium chloride
PubChem CID139179659
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(3-aminophenyl)azanium chloride
SMILESNc1cccc([NH3+])c1.[Cl-]
InChIInChI=1S/C6H8N2.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H
InChIKeyVEGZHURRCWERMK-UHFFFAOYSA-N
XLogP-2.85
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 5-2.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)azanium chloride?
The IUPAC name of (3-aminophenyl)azanium chloride (CID 139179659) is (3-aminophenyl)azanium chloride.
What is the SMILES notation for (3-aminophenyl)azanium chloride?
The canonical SMILES for (3-aminophenyl)azanium chloride is Nc1cccc([NH3+])c1.[Cl-].
What is the InChIKey of (3-aminophenyl)azanium chloride?
The InChIKey is VEGZHURRCWERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H.
What are the key properties of (3-aminophenyl)azanium chloride?
(3-aminophenyl)azanium chloride has a molecular weight of 144.60 g/mol, XLogP of -2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)azanium chloride is sourced from PubChem (CID 139179659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).