naphthalene-1,2-diamine;dihydrochloride

C10H12Cl2N2 — CID 17385590

IUPACnaphthalene-1,2-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2ccccc2c1N
InChIInChI=1S/C10H10N2.2ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;/h1-6H,11-12H2;2*1H
InChIKeyHGHCAGCTHJZWTD-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.85
Rot. Bonds

About naphthalene-1,2-diamine;dihydrochloride

naphthalene-1,2-diamine;dihydrochloride (PubChem CID 17385590) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is naphthalene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Namenaphthalene-1,2-diamine;dihydrochloride
PubChem CID17385590
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Namenaphthalene-1,2-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2ccccc2c1N
InChIInChI=1S/C10H10N2.2ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;/h1-6H,11-12H2;2*1H
InChIKeyHGHCAGCTHJZWTD-UHFFFAOYSA-N
XLogP2.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.85
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-1,2-diamine;dihydrochloride?
The IUPAC name of naphthalene-1,2-diamine;dihydrochloride (CID 17385590) is naphthalene-1,2-diamine;dihydrochloride.
What is the SMILES notation for naphthalene-1,2-diamine;dihydrochloride?
The canonical SMILES for naphthalene-1,2-diamine;dihydrochloride is Cl.Cl.Nc1ccc2ccccc2c1N.
What is the InChIKey of naphthalene-1,2-diamine;dihydrochloride?
The InChIKey is HGHCAGCTHJZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.2ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;/h1-6H,11-12H2;2*1H.
What are the key properties of naphthalene-1,2-diamine;dihydrochloride?
naphthalene-1,2-diamine;dihydrochloride has a molecular weight of 231.13 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17385590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).