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Chemical substance record

N-hydroxy-PhIP

124489-20-9C13H12N4O240.266 g/mol
Organic/Inorganic Small MoleculeChEBI source record

An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, hydoxyamino, and phenyl groups, respectively. The active metabolite of the dietary carcinogen PhIP. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number124489-20-9ChEBI ↗
Molecular formulaC13H12N4OChEBI ↗
Molar mass240.266 g/molChEBI ↗
Monoisotopic mass240.10111 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:133920ChEBI ↗

Cross-source molecular data

PubChem
Molar mass240.26 g/molPubChem ↗
Exact mass240.10111102 DaPubChem ↗
Computed XLogP2.4PubChem ↗
Topological polar surface area (Ų)63PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds2PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
N-hydroxy-PhIP
N-(1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-ylidene)hydroxylamine
DCVWQAGUQFBCTF-UHFFFAOYSA-N
Cn1c(NO)nc2ncc(-c3ccccc3)cc21
InChI=1S/C13H12N4O/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-18/h2-8,18H,1H3,(H,14,15,16)

Names & synonyms

N-(1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-ylidene)hydroxylamine

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
hydroxylamineChEBI parent class · 15429 ↗imidazopyridineChEBI parent class · 46908 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

mutagengenotoxincarcinogenic agentneurotoxinmouse metabolitehuman xenobiotic metaboliterat metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00416205 mol

Uses 240.266 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 13 atoms
64.99%
N
Nitrogen · 4 atoms
23.32%
O
Oxygen · 1 atom
6.66%
H
Hydrogen · 12 atoms
5.03%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Glucuronidation of 2-hydroxyamino-1-methyl-6-phenylimidazo[4, 5-b]pyridine by human microsomal UDP-glucuronosyltransferases: identification of specific UGT1A family isoforms involved. ↗Carcinogenesis · 1999 Jun · PMID 10357796
N-acetyltransferase-dependent activation of 2-hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine: formation of 2-amino-1-methyl-6-(5-hydroxy)phenylimidazo [4,5-b]pyridine, a possible biomarker for the reactive dose of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine. ↗Carcinogenesis · 2000 Jun · PMID 10837010
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:133920

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 104954 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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