2-chlorobenzene-1,4-diamine;dihydrochloride

C6H9Cl3N2 — CID 11997

IUPAC2-chlorobenzene-1,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C6H7ClN2.2ClH/c7-5-3-4(8)1-2-6(5)9;;/h1-3H,8-9H2;2*1H
InChIKeyGJCLKJLIKKFYAW-UHFFFAOYSA-N
MW215.51 g/mol
LogP2.35
Rot. Bonds

About 2-chlorobenzene-1,4-diamine;dihydrochloride

2-chlorobenzene-1,4-diamine;dihydrochloride (PubChem CID 11997) has the molecular formula C6H9Cl3N2 and a molecular weight of 215.51 g/mol. Its IUPAC name is 2-chlorobenzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-chlorobenzene-1,4-diamine;dihydrochloride
PubChem CID11997
Molecular FormulaC6H9Cl3N2
Molecular Weight215.51 g/mol
Exact Mass213.98
IUPAC Name2-chlorobenzene-1,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C6H7ClN2.2ClH/c7-5-3-4(8)1-2-6(5)9;;/h1-3H,8-9H2;2*1H
InChIKeyGJCLKJLIKKFYAW-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.51
LogP ≤ 52.35
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

3,4-Dichloroaniline
CID 7257
2-Chloroaniline
CID 7240
4-Chloroaniline
CID 7812
2-Chloro-4-nitroaniline
CID 8492
3,5-Dichloroaniline
CID 12281
2,5-Dichloroaniline
CID 7262
3-Chloroaniline
CID 7932
1,4-Diaminobenzene dihydrochloride
CID 12205
2,3-Dichloroaniline
CID 11844
2,4-Dichloroaniline
CID 11123
4-Chloro-M-phenylenediamine
CID 21209
2,6-Dichloro-1,4-benzenediamine
CID 11860

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzene-1,4-diamine;dihydrochloride?
The IUPAC name of 2-chlorobenzene-1,4-diamine;dihydrochloride (CID 11997) is 2-chlorobenzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for 2-chlorobenzene-1,4-diamine;dihydrochloride?
The canonical SMILES for 2-chlorobenzene-1,4-diamine;dihydrochloride is Cl.Cl.Nc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chlorobenzene-1,4-diamine;dihydrochloride?
The InChIKey is GJCLKJLIKKFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.2ClH/c7-5-3-4(8)1-2-6(5)9;;/h1-3H,8-9H2;2*1H.
What are the key properties of 2-chlorobenzene-1,4-diamine;dihydrochloride?
2-chlorobenzene-1,4-diamine;dihydrochloride has a molecular weight of 215.51 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 11997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).