N-benzylhydroxylamine;hydrochloride

C7H10ClNO — CID 11332622

IUPACN-benzylhydroxylamine;hydrochloride
SMILESCl.ONCc1ccccc1
InChIInChI=1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H
InChIKeyYSNXOQGDHGUKCZ-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.59
Rot. Bonds2

About N-benzylhydroxylamine;hydrochloride

N-benzylhydroxylamine;hydrochloride (PubChem CID 11332622) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is N-benzylhydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-benzylhydroxylamine;hydrochloride
PubChem CID11332622
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC NameN-benzylhydroxylamine;hydrochloride
SMILESCl.ONCc1ccccc1
InChIInChI=1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H
InChIKeyYSNXOQGDHGUKCZ-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzylhydroxylamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzylhydroxylamine;hydrochloride?
The IUPAC name of N-benzylhydroxylamine;hydrochloride (CID 11332622) is N-benzylhydroxylamine;hydrochloride.
What is the SMILES notation for N-benzylhydroxylamine;hydrochloride?
The canonical SMILES for N-benzylhydroxylamine;hydrochloride is Cl.ONCc1ccccc1.
What is the InChIKey of N-benzylhydroxylamine;hydrochloride?
The InChIKey is YSNXOQGDHGUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H.
What are the key properties of N-benzylhydroxylamine;hydrochloride?
N-benzylhydroxylamine;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhydroxylamine;hydrochloride is sourced from PubChem (CID 11332622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).