N-ethylethanamine;2-hydroxybenzoic acid;hydrate

C11H19NO4 — CID 159203419

IUPACN-ethylethanamine;2-hydroxybenzoic acid;hydrate
SMILESCCNCC.O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H11N.H2O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2;/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3;1H2
InChIKeyKPORCIJPGPKARK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds3

About N-ethylethanamine;2-hydroxybenzoic acid;hydrate

N-ethylethanamine;2-hydroxybenzoic acid;hydrate (PubChem CID 159203419) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-ethylethanamine;2-hydroxybenzoic acid;hydrate.

Molecular Properties

Compound NameN-ethylethanamine;2-hydroxybenzoic acid;hydrate
PubChem CID159203419
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-ethylethanamine;2-hydroxybenzoic acid;hydrate
SMILESCCNCC.O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H11N.H2O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2;/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3;1H2
InChIKeyKPORCIJPGPKARK-UHFFFAOYSA-N
XLogP0.88
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87183669
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chromium;2-hydroxybenzoic acid
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2-hydroxybenzoic acid;bis(yttrium)
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bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
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CID 161423500
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CID 173188925
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CID 172999910
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CID 68579561

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2-hydroxybenzoic acid;hydrate?
The IUPAC name of N-ethylethanamine;2-hydroxybenzoic acid;hydrate (CID 159203419) is N-ethylethanamine;2-hydroxybenzoic acid;hydrate.
What is the SMILES notation for N-ethylethanamine;2-hydroxybenzoic acid;hydrate?
The canonical SMILES for N-ethylethanamine;2-hydroxybenzoic acid;hydrate is CCNCC.O.O=C(O)c1ccccc1O.
What is the InChIKey of N-ethylethanamine;2-hydroxybenzoic acid;hydrate?
The InChIKey is KPORCIJPGPKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H11N.H2O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2;/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3;1H2.
What are the key properties of N-ethylethanamine;2-hydroxybenzoic acid;hydrate?
N-ethylethanamine;2-hydroxybenzoic acid;hydrate has a molecular weight of 229.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-hydroxybenzoic acid;hydrate is sourced from PubChem (CID 159203419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).