benzene-1,3-diamine;dihydrochloride

C6H10Cl2N2 — CID 10941

IUPACbenzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1cccc(N)c1
InChIInChI=1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H
InChIKeySVTOYMIYCMHPIV-UHFFFAOYSA-N
MW181.07 g/mol
LogP1.69
Rot. Bonds

About benzene-1,3-diamine;dihydrochloride

benzene-1,3-diamine;dihydrochloride (PubChem CID 10941) has the molecular formula C6H10Cl2N2 and a molecular weight of 181.07 g/mol. Its IUPAC name is benzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Namebenzene-1,3-diamine;dihydrochloride
PubChem CID10941
Molecular FormulaC6H10Cl2N2
Molecular Weight181.07 g/mol
Exact Mass180.02
IUPAC Namebenzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1cccc(N)c1
InChIInChI=1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H
InChIKeySVTOYMIYCMHPIV-UHFFFAOYSA-N
XLogP1.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 51.69
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 benzene-1,3-diamine;dihydrochloride?
The IUPAC name of benzene-1,3-diamine;dihydrochloride (CID 10941) is benzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for benzene-1,3-diamine;dihydrochloride?
The canonical SMILES for benzene-1,3-diamine;dihydrochloride is Cl.Cl.Nc1cccc(N)c1.
What is the InChIKey of benzene-1,3-diamine;dihydrochloride?
The InChIKey is SVTOYMIYCMHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H.
What are the key properties of benzene-1,3-diamine;dihydrochloride?
benzene-1,3-diamine;dihydrochloride has a molecular weight of 181.07 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diamine;dihydrochloride is sourced from PubChem (CID 10941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).