N-benzylhydroxylamine;formaldehyde

C8H11NO2 — CID 87671632

IUPACN-benzylhydroxylamine;formaldehyde
SMILESC=O.ONCc1ccccc1
InChIInChI=1S/C7H9NO.CH2O/c9-8-6-7-4-2-1-3-5-7;1-2/h1-5,8-9H,6H2;1H2
InChIKeyDTBJEDLWENMRPA-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.98
Rot. Bonds2

About N-benzylhydroxylamine;formaldehyde

N-benzylhydroxylamine;formaldehyde (PubChem CID 87671632) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-benzylhydroxylamine;formaldehyde.

Molecular Properties

Compound NameN-benzylhydroxylamine;formaldehyde
PubChem CID87671632
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-benzylhydroxylamine;formaldehyde
SMILESC=O.ONCc1ccccc1
InChIInChI=1S/C7H9NO.CH2O/c9-8-6-7-4-2-1-3-5-7;1-2/h1-5,8-9H,6H2;1H2
InChIKeyDTBJEDLWENMRPA-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
benzylsulfamic acid;ethane
CID 154691965
N-benzylhydroxylamine;dibutyl hydrogen phosphate
CID 158905172
ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
CID 143717501
N'-benzyl-2-methylprop-2-enehydrazide
CID 175049559
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzylhydroxylamine;dioctyl hydrogen phosphate
CID 159438550
formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
CID 19038353
N-dimethylphosphoryl-1-phenylmethanamine
CID 163638802
formaldehyde;2-phenylacetic acid
CID 70638018
formaldehyde;2-phenylethanol
CID 143785167

Frequently Asked Questions

What is the IUPAC name of N-benzylhydroxylamine;formaldehyde?
The IUPAC name of N-benzylhydroxylamine;formaldehyde (CID 87671632) is N-benzylhydroxylamine;formaldehyde.
What is the SMILES notation for N-benzylhydroxylamine;formaldehyde?
The canonical SMILES for N-benzylhydroxylamine;formaldehyde is C=O.ONCc1ccccc1.
What is the InChIKey of N-benzylhydroxylamine;formaldehyde?
The InChIKey is DTBJEDLWENMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.CH2O/c9-8-6-7-4-2-1-3-5-7;1-2/h1-5,8-9H,6H2;1H2.
What are the key properties of N-benzylhydroxylamine;formaldehyde?
N-benzylhydroxylamine;formaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhydroxylamine;formaldehyde is sourced from PubChem (CID 87671632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).