[amino(phenyl)methylidene]azanium chloride

C7H9ClN2 — CID 10898949

IUPAC[amino(phenyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ccccc1.[Cl-]
InChIInChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChIKeyLZCZIHQBSCVGRD-UHFFFAOYSA-N
MW156.62 g/mol
LogP-3.85
Rot. Bonds1

About [amino(phenyl)methylidene]azanium chloride

[amino(phenyl)methylidene]azanium chloride (PubChem CID 10898949) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is [amino(phenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino(phenyl)methylidene]azanium chloride
PubChem CID10898949
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name[amino(phenyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ccccc1.[Cl-]
InChIInChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChIKeyLZCZIHQBSCVGRD-UHFFFAOYSA-N
XLogP-3.85
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 5-3.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methylidene]azanium chloride?
The IUPAC name of [amino(phenyl)methylidene]azanium chloride (CID 10898949) is [amino(phenyl)methylidene]azanium chloride.
What is the SMILES notation for [amino(phenyl)methylidene]azanium chloride?
The canonical SMILES for [amino(phenyl)methylidene]azanium chloride is NC(=[NH2+])c1ccccc1.[Cl-].
What is the InChIKey of [amino(phenyl)methylidene]azanium chloride?
The InChIKey is LZCZIHQBSCVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H.
What are the key properties of [amino(phenyl)methylidene]azanium chloride?
[amino(phenyl)methylidene]azanium chloride has a molecular weight of 156.62 g/mol, XLogP of -3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methylidene]azanium chloride is sourced from PubChem (CID 10898949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).