1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride

C7H10BrClN2 — CID 140975606

IUPAC1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride
SMILESCc1ccc(N(N)Br)cc1.Cl
InChIInChI=1S/C7H9BrN2.ClH/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,9H2,1H3;1H
InChIKeyAYJTWFNFBTVNBS-UHFFFAOYSA-N
MW237.53 g/mol
LogP2.41
Rot. Bonds1

About 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride

1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride (PubChem CID 140975606) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride.

Molecular Properties

Compound Name1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride
PubChem CID140975606
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride
SMILESCc1ccc(N(N)Br)cc1.Cl
InChIInChI=1S/C7H9BrN2.ClH/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,9H2,1H3;1H
InChIKeyAYJTWFNFBTVNBS-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride?
The IUPAC name of 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride (CID 140975606) is 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride.
What is the SMILES notation for 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride?
The canonical SMILES for 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride is Cc1ccc(N(N)Br)cc1.Cl.
What is the InChIKey of 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride?
The InChIKey is AYJTWFNFBTVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.ClH/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,9H2,1H3;1H.
What are the key properties of 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride?
1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride has a molecular weight of 237.53 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride is sourced from PubChem (CID 140975606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).