bis(1-phenylethylhydrazine);sulfate

C16H24N4O4S-2 — CID 20976345

IUPACbis(1-phenylethylhydrazine);sulfate
SMILESCC(NN)c1ccccc1.CC(NN)c1ccccc1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C8H12N2.H2O4S/c2*1-7(10-9)8-5-3-2-4-6-8;1-5(2,3)4/h2*2-7,10H,9H2,1H3;(H2,1,2,3,4)/p-2
InChIKeyUXYQAHYNWDLGKM-UHFFFAOYSA-L
MW368.46 g/mol
LogP1.08
Rot. Bonds4

About bis(1-phenylethylhydrazine);sulfate

bis(1-phenylethylhydrazine);sulfate (PubChem CID 20976345) has the molecular formula C16H24N4O4S-2 and a molecular weight of 368.46 g/mol. Its IUPAC name is bis(1-phenylethylhydrazine);sulfate.

Molecular Properties

Compound Namebis(1-phenylethylhydrazine);sulfate
PubChem CID20976345
Molecular FormulaC16H24N4O4S-2
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Namebis(1-phenylethylhydrazine);sulfate
SMILESCC(NN)c1ccccc1.CC(NN)c1ccccc1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C8H12N2.H2O4S/c2*1-7(10-9)8-5-3-2-4-6-8;1-5(2,3)4/h2*2-7,10H,9H2,1H3;(H2,1,2,3,4)/p-2
InChIKeyUXYQAHYNWDLGKM-UHFFFAOYSA-L
XLogP1.08
TPSA156.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

[(4-methylsulfonylphenyl)-phenylmethyl]hydrazine
CID 105282883
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
4-[(1S)-1-hydrazinylethyl]benzaldehyde
CID 87419135
4-[(1R)-1-hydrazinylethyl]benzaldehyde
CID 89028166
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 106036342
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768

Frequently Asked Questions

What is the IUPAC name of bis(1-phenylethylhydrazine);sulfate?
The IUPAC name of bis(1-phenylethylhydrazine);sulfate (CID 20976345) is bis(1-phenylethylhydrazine);sulfate.
What is the SMILES notation for bis(1-phenylethylhydrazine);sulfate?
The canonical SMILES for bis(1-phenylethylhydrazine);sulfate is CC(NN)c1ccccc1.CC(NN)c1ccccc1.O=S(=O)([O-])[O-].
What is the InChIKey of bis(1-phenylethylhydrazine);sulfate?
The InChIKey is UXYQAHYNWDLGKM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H12N2.H2O4S/c2*1-7(10-9)8-5-3-2-4-6-8;1-5(2,3)4/h2*2-7,10H,9H2,1H3;(H2,1,2,3,4)/p-2.
What are the key properties of bis(1-phenylethylhydrazine);sulfate?
bis(1-phenylethylhydrazine);sulfate has a molecular weight of 368.46 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-phenylethylhydrazine);sulfate is sourced from PubChem (CID 20976345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).