propan-1-amine;sulfuric acid

C3H11NO4S — CID 46210411

IUPACpropan-1-amine;sulfuric acid
SMILESCCCN.O=S(=O)(O)O
InChIInChI=1S/C3H9N.H2O4S/c1-2-3-4;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4)
InChIKeyZYWVUGXNGJVBAL-UHFFFAOYSA-N
MW157.19 g/mol
LogP-0.30
Rot. Bonds1

About propan-1-amine;sulfuric acid

propan-1-amine;sulfuric acid (PubChem CID 46210411) has the molecular formula C3H11NO4S and a molecular weight of 157.19 g/mol. Its IUPAC name is propan-1-amine;sulfuric acid.

Molecular Properties

Compound Namepropan-1-amine;sulfuric acid
PubChem CID46210411
Molecular FormulaC3H11NO4S
Molecular Weight157.19 g/mol
Exact Mass157.04
IUPAC Namepropan-1-amine;sulfuric acid
SMILESCCCN.O=S(=O)(O)O
InChIInChI=1S/C3H9N.H2O4S/c1-2-3-4;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4)
InChIKeyZYWVUGXNGJVBAL-UHFFFAOYSA-N
XLogP-0.30
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-0.30
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
Butylsulfamic acid
CID 3628384
Isopropylsulfamic acid
CID 65283
Isopropylamine sulfate
CID 62170
Propylsulfamic acid
CID 14979915
Butylammonium hydrogen sulphate
CID 23053896
Ethylmethyl ammonium bisulfate
CID 87382010
Ethylammonium bisulfite
CID 129796839
3-Aminopropylammonium hydrogensulfate
CID 132277839

Frequently Asked Questions

What is the IUPAC name of propan-1-amine;sulfuric acid?
The IUPAC name of propan-1-amine;sulfuric acid (CID 46210411) is propan-1-amine;sulfuric acid.
What is the SMILES notation for propan-1-amine;sulfuric acid?
The canonical SMILES for propan-1-amine;sulfuric acid is CCCN.O=S(=O)(O)O.
What is the InChIKey of propan-1-amine;sulfuric acid?
The InChIKey is ZYWVUGXNGJVBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.H2O4S/c1-2-3-4;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4).
What are the key properties of propan-1-amine;sulfuric acid?
propan-1-amine;sulfuric acid has a molecular weight of 157.19 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;sulfuric acid is sourced from PubChem (CID 46210411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).