(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride

C9H17ClN2O — CID 18702305

IUPAC(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride
SMILESCC(C)c1ccc(NN)cc1.Cl.O
InChIInChI=1S/C9H14N2.ClH.H2O/c1-7(2)8-3-5-9(11-10)6-4-8;;/h3-7,11H,10H2,1-2H3;1H;1H2
InChIKeyXDQKEIUCXZHYSE-UHFFFAOYSA-N
MW204.70 g/mol
LogP1.69
Rot. Bonds2

About (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride

(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride (PubChem CID 18702305) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride
PubChem CID18702305
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride
SMILESCC(C)c1ccc(NN)cc1.Cl.O
InChIInChI=1S/C9H14N2.ClH.H2O/c1-7(2)8-3-5-9(11-10)6-4-8;;/h3-7,11H,10H2,1-2H3;1H;1H2
InChIKeyXDQKEIUCXZHYSE-UHFFFAOYSA-N
XLogP1.69
TPSA69.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-propan-2-ylphenyl)hydrazine
CID 2733249
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
(4-propan-2-ylphenyl)cyanamide
CID 18783174
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80912556
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
ethane;[4-(4-hydrazinylphenyl)phenyl]hydrazine
CID 157145952
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
CID 59694605
CID 59694605
N-(methylideneamino)-4-propan-2-ylaniline
CID 147987103

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride?
The IUPAC name of (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride (CID 18702305) is (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride.
What is the SMILES notation for (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride?
The canonical SMILES for (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride is CC(C)c1ccc(NN)cc1.Cl.O.
What is the InChIKey of (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride?
The InChIKey is XDQKEIUCXZHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.ClH.H2O/c1-7(2)8-3-5-9(11-10)6-4-8;;/h3-7,11H,10H2,1-2H3;1H;1H2.
What are the key properties of (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride?
(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride is sourced from PubChem (CID 18702305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).