benzene-1,3-diamine;hydron;dichloride

C6H10Cl2N2 — CID 74764421

IUPACbenzene-1,3-diamine;hydron;dichloride
SMILESNc1cccc(N)c1.[Cl-].[Cl-].[H+].[H+]
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
LogP-4.92
Rot. Bonds

About benzene-1,3-diamine;hydron;dichloride

benzene-1,3-diamine;hydron;dichloride (PubChem CID 74764421) has the molecular formula C6H10Cl2N2 and a molecular weight of 181.07 g/mol. Its IUPAC name is benzene-1,3-diamine;hydron;dichloride.

Molecular Properties

Compound Namebenzene-1,3-diamine;hydron;dichloride
PubChem CID74764421
Molecular FormulaC6H10Cl2N2
Molecular Weight181.07 g/mol
Exact Mass180.02
IUPAC Namebenzene-1,3-diamine;hydron;dichloride
SMILESNc1cccc(N)c1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H
InChIKeySVTOYMIYCMHPIV-UHFFFAOYSA-N
XLogP-4.92
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 ≤ 5-4.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diamine;hydron
CID 174403382
benzene-1,3-diamine
CID 7935
benzene-1,3-diamine;zinc
CID 175999138
benzene-1,3-diamine;hydrate
CID 133188498
3-methylaniline chloride
CID 23334103
(3-aminophenyl)azanium chloride
CID 139179659
benzene-1,3-diamine;naphthalene-1,5-diamine
CID 139435132
benzene-1,3-diamine;benzene-1,4-diamine;benzene-1,2,4-triamine
CID 162067267
benzene-1,3-diamine;perchloric acid
CID 71405376
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-methylaniline
CID 7934
CID 141280926
CID 141280926

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diamine;hydron;dichloride?
The IUPAC name of benzene-1,3-diamine;hydron;dichloride (CID 74764421) is benzene-1,3-diamine;hydron;dichloride.
What is the SMILES notation for benzene-1,3-diamine;hydron;dichloride?
The canonical SMILES for benzene-1,3-diamine;hydron;dichloride is Nc1cccc(N)c1.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of benzene-1,3-diamine;hydron;dichloride?
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;hydron;dichloride?
benzene-1,3-diamine;hydron;dichloride has a molecular weight of 181.07 g/mol, XLogP of -4.92, 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;hydron;dichloride is sourced from PubChem (CID 74764421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).