naphthalene-2,3-diamine;hydrochloride

C10H11ClN2 — CID 6365803

IUPACnaphthalene-2,3-diamine;hydrochloride
SMILESCl.Nc1cc2ccccc2cc1N
InChIInChI=1S/C10H10N2.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6H,11-12H2;1H
InChIKeyNFDJXVMIVTUFCG-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.43
Rot. Bonds

About naphthalene-2,3-diamine;hydrochloride

naphthalene-2,3-diamine;hydrochloride (PubChem CID 6365803) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is naphthalene-2,3-diamine;hydrochloride.

Molecular Properties

Compound Namenaphthalene-2,3-diamine;hydrochloride
PubChem CID6365803
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Namenaphthalene-2,3-diamine;hydrochloride
SMILESCl.Nc1cc2ccccc2cc1N
InChIInChI=1S/C10H10N2.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6H,11-12H2;1H
InChIKeyNFDJXVMIVTUFCG-UHFFFAOYSA-N
XLogP2.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3-diamine;hydrochloride?
The IUPAC name of naphthalene-2,3-diamine;hydrochloride (CID 6365803) is naphthalene-2,3-diamine;hydrochloride.
What is the SMILES notation for naphthalene-2,3-diamine;hydrochloride?
The canonical SMILES for naphthalene-2,3-diamine;hydrochloride is Cl.Nc1cc2ccccc2cc1N.
What is the InChIKey of naphthalene-2,3-diamine;hydrochloride?
The InChIKey is NFDJXVMIVTUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6H,11-12H2;1H.
What are the key properties of naphthalene-2,3-diamine;hydrochloride?
naphthalene-2,3-diamine;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,3-diamine;hydrochloride is sourced from PubChem (CID 6365803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).