ethanamine;sulfuric acid

C2H9NO4S — CID 19907958

IUPACethanamine;sulfuric acid
SMILESCCN.O=S(=O)(O)O
InChIInChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyOXVXWUDYARFPLN-UHFFFAOYSA-N
MW143.16 g/mol
LogP-0.69
Rot. Bonds

About ethanamine;sulfuric acid

ethanamine;sulfuric acid (PubChem CID 19907958) has the molecular formula C2H9NO4S and a molecular weight of 143.16 g/mol. Its IUPAC name is ethanamine;sulfuric acid.

Molecular Properties

Compound Nameethanamine;sulfuric acid
PubChem CID19907958
Molecular FormulaC2H9NO4S
Molecular Weight143.16 g/mol
Exact Mass143.03
IUPAC Nameethanamine;sulfuric acid
SMILESCCN.O=S(=O)(O)O
InChIInChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyOXVXWUDYARFPLN-UHFFFAOYSA-N
XLogP-0.69
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Ethylenediammonium sulfate
CID 168015
1,2-Ethanediamine, sulfate
CID 33149
Sulfuric acid, di(ethylamine) salt
CID 120270
sulfuric acid, di(propylamine) salt
CID 3055952
Ethylsulfamic acid
CID 244259
Isopropylamine sulfate
CID 62170
Propylsulfamic acid
CID 14979915
3-Aminoethyl hydrogen sulfate
CID 19763171
Butylammonium hydrogen sulphate
CID 23053896
Propylamine sulfate
CID 46210411
Ethylmethyl ammonium bisulfate
CID 87382010
Ethylammonium bisulfite
CID 129796839

Frequently Asked Questions

What is the IUPAC name of ethanamine;sulfuric acid?
The IUPAC name of ethanamine;sulfuric acid (CID 19907958) is ethanamine;sulfuric acid.
What is the SMILES notation for ethanamine;sulfuric acid?
The canonical SMILES for ethanamine;sulfuric acid is CCN.O=S(=O)(O)O.
What is the InChIKey of ethanamine;sulfuric acid?
The InChIKey is OXVXWUDYARFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of ethanamine;sulfuric acid?
ethanamine;sulfuric acid has a molecular weight of 143.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;sulfuric acid is sourced from PubChem (CID 19907958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).