(4-hydrazinylphenyl)methyl acetate

C9H12N2O2 — CID 123892480

IUPAC(4-hydrazinylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(NN)cc1
InChIInChI=1S/C9H12N2O2/c1-7(12)13-6-8-2-4-9(11-10)5-3-8/h2-5,11H,6,10H2,1H3
InChIKeyKSKHKIXLTVEHSH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.04
Rot. Bonds3

About (4-hydrazinylphenyl)methyl acetate

(4-hydrazinylphenyl)methyl acetate (PubChem CID 123892480) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-hydrazinylphenyl)methyl acetate.

Molecular Properties

Compound Name(4-hydrazinylphenyl)methyl acetate
PubChem CID123892480
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-hydrazinylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(NN)cc1
InChIInChI=1S/C9H12N2O2/c1-7(12)13-6-8-2-4-9(11-10)5-3-8/h2-5,11H,6,10H2,1H3
InChIKeyKSKHKIXLTVEHSH-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
(4-fluorophenyl)methyl acetate
CID 14793785
CID 90816966
CID 90816966
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
benzyl acetate
CID 8785
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
[4-(butan-2-ylamino)phenyl]methyl acetate;methane;molecular hydrogen
CID 153350084
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
[4-(acetyloxymethyl)phenyl]methanesulfinate
CID 174615987

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinylphenyl)methyl acetate?
The IUPAC name of (4-hydrazinylphenyl)methyl acetate (CID 123892480) is (4-hydrazinylphenyl)methyl acetate.
What is the SMILES notation for (4-hydrazinylphenyl)methyl acetate?
The canonical SMILES for (4-hydrazinylphenyl)methyl acetate is CC(=O)OCc1ccc(NN)cc1.
What is the InChIKey of (4-hydrazinylphenyl)methyl acetate?
The InChIKey is KSKHKIXLTVEHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)13-6-8-2-4-9(11-10)5-3-8/h2-5,11H,6,10H2,1H3.
What are the key properties of (4-hydrazinylphenyl)methyl acetate?
(4-hydrazinylphenyl)methyl acetate has a molecular weight of 180.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinylphenyl)methyl acetate is sourced from PubChem (CID 123892480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).