4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride

C8H13ClN2 — CID 7736

IUPAC4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(N)cc1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
InChIKeyKTWNIUBGGFBRKH-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.76
Rot. Bonds1

About 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride

4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 7736) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
PubChem CID7736
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(N)cc1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
InChIKeyKTWNIUBGGFBRKH-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

P-Phenylenediamine
CID 7814
N,N-Dimethylaniline
CID 949
C.I. Solvent Yellow 2
CID 6053
N-Phenyl-p-phenylenediamine
CID 7564
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
N,N-dimethyl-4-nitrosoaniline
CID 8749
N-Ethylaniline
CID 7670
1,4-Diaminobenzene dihydrochloride
CID 12205
N,N-dimethyl-p-phenylenediamine
CID 7472
N-Isopropylaniline
CID 13032
1-Phenylpiperazine
CID 7096

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride (CID 7736) is 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride is CN(C)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is KTWNIUBGGFBRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H.
What are the key properties of 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 7736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).