N-benzylhydroxylamine;oxalic acid

C9H11NO5 — CID 134994038

IUPACN-benzylhydroxylamine;oxalic acid
SMILESO=C(O)C(=O)O.ONCc1ccccc1
InChIInChI=1S/C7H9NO.C2H2O4/c9-8-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,8-9H,6H2;(H,3,4)(H,5,6)
InChIKeyFEBWBPZQPDXQRD-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.32
Rot. Bonds2

About N-benzylhydroxylamine;oxalic acid

N-benzylhydroxylamine;oxalic acid (PubChem CID 134994038) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-benzylhydroxylamine;oxalic acid.

Molecular Properties

Compound NameN-benzylhydroxylamine;oxalic acid
PubChem CID134994038
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC NameN-benzylhydroxylamine;oxalic acid
SMILESO=C(O)C(=O)O.ONCc1ccccc1
InChIInChI=1S/C7H9NO.C2H2O4/c9-8-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,8-9H,6H2;(H,3,4)(H,5,6)
InChIKeyFEBWBPZQPDXQRD-UHFFFAOYSA-N
XLogP0.32
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzylhydroxylamine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzylhydrazinium oxalate (1:1)
CID 13000183
Phenylmethanaminium acetate
CID 3014082
Benzylammonium acetate
CID 11469290
N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
CID 11954986
Benzylamine carbonate
CID 12998571
Benzyl-aminediacetic acid
CID 21292727
Benzylammonium hydrogen fumarate
CID 168356019
Mercury, bis(acetato-kappaO)(benzenamine)-
CID 86278675
Benzenemethanamine, trifluoroacetate
CID 12484433
N,N-dimethyl-1-phenylmethanamine;oxalic acid
CID 21523509
(Benzylamino) 2,2,2-trifluoroacetate
CID 22069130
(Benzylamino)azanium;2-hydroxy-2-oxoacetate
CID 56842598

Frequently Asked Questions

What is the IUPAC name of N-benzylhydroxylamine;oxalic acid?
The IUPAC name of N-benzylhydroxylamine;oxalic acid (CID 134994038) is N-benzylhydroxylamine;oxalic acid.
What is the SMILES notation for N-benzylhydroxylamine;oxalic acid?
The canonical SMILES for N-benzylhydroxylamine;oxalic acid is O=C(O)C(=O)O.ONCc1ccccc1.
What is the InChIKey of N-benzylhydroxylamine;oxalic acid?
The InChIKey is FEBWBPZQPDXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C2H2O4/c9-8-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,8-9H,6H2;(H,3,4)(H,5,6).
What are the key properties of N-benzylhydroxylamine;oxalic acid?
N-benzylhydroxylamine;oxalic acid has a molecular weight of 213.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhydroxylamine;oxalic acid is sourced from PubChem (CID 134994038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).