N-benzhydrylhydroxylamine;oxalic acid

C15H15NO5 — CID 11197007

IUPACN-benzhydrylhydroxylamine;oxalic acid
SMILESO=C(O)C(=O)O.ONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13NO.C2H2O4/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1(4)2(5)6/h1-10,13-15H;(H,3,4)(H,5,6)
InChIKeyULWZNXYXRGTVTF-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.91
Rot. Bonds3

About N-benzhydrylhydroxylamine;oxalic acid

N-benzhydrylhydroxylamine;oxalic acid (PubChem CID 11197007) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-benzhydrylhydroxylamine;oxalic acid.

Molecular Properties

Compound NameN-benzhydrylhydroxylamine;oxalic acid
PubChem CID11197007
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-benzhydrylhydroxylamine;oxalic acid
SMILESO=C(O)C(=O)O.ONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13NO.C2H2O4/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1(4)2(5)6/h1-10,13-15H;(H,3,4)(H,5,6)
InChIKeyULWZNXYXRGTVTF-UHFFFAOYSA-N
XLogP1.91
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.91
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'}

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Related Compounds

N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
CID 11954986
Diphenylmethanamine;2,2,2-trifluoroacetic acid
CID 71505318
oxalic acid;N-(2-phenylethyl)hydroxylamine
CID 23635708
Benzylammonium copper oxalate
CID 129731604
oxalic acid;N-(3-phenylpropyl)hydroxylamine
CID 134926910
N-benzylhydroxylamine;oxalic acid
CID 134994038
Benzylammonium hydrogen oxalate hemihydrate
CID 139066079
methyl (S)-2-(((1-phenylethyl)amino)oxy)acetate
CID 163358803
(R)-N-(1-Phenylethyl)hydroxylamine oxalate
CID 12482301
2-[(4-Fluorophenyl)methylamino]oxyacetic acid
CID 21947376
[[(1S)-1-phenylethyl]amino] acetate;2,2,2-trifluoroacetic acid
CID 57408344
Benzhydrylazanide;2,2,2-trifluoroacetic acid
CID 158297554

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylhydroxylamine;oxalic acid?
The IUPAC name of N-benzhydrylhydroxylamine;oxalic acid (CID 11197007) is N-benzhydrylhydroxylamine;oxalic acid.
What is the SMILES notation for N-benzhydrylhydroxylamine;oxalic acid?
The canonical SMILES for N-benzhydrylhydroxylamine;oxalic acid is O=C(O)C(=O)O.ONC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylhydroxylamine;oxalic acid?
The InChIKey is ULWZNXYXRGTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C2H2O4/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1(4)2(5)6/h1-10,13-15H;(H,3,4)(H,5,6).
What are the key properties of N-benzhydrylhydroxylamine;oxalic acid?
N-benzhydrylhydroxylamine;oxalic acid has a molecular weight of 289.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylhydroxylamine;oxalic acid is sourced from PubChem (CID 11197007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).