N-hydroxy-PhIP
AlkaPlorer ID: AK087692
Synonym: '2-Hydroxyamino-PhIP', 'N-OH-PhIP', '2-hydroxyamino-1-methyl-6-phenylimidazo4,5-bpyridine'
IUPAC Name: N-(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)hydroxylamine
Structure
SMILES: CN1C(NO)=NC2=C1C=C(C1=CC=CC=C1)C=N2
InChI: 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)
InChIKey: DCVWQAGUQFBCTF-UHFFFAOYSA-N
Reference
PubChem CID: 104954
CAS: 124489-20-9
LOTUS: LTS0231576
NPASS: NPC317054
COCONUT: CNP0180946
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Rattus | Muridae | Rodentia | Mammalia | Chordata | Metazoa | Eukaryota |
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| Apis cerana | Apis | Apidae | Hymenoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Mus musculus | Mus | Muridae | Rodentia | Mammalia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 240.266
TPSA？: 62.97
MolLogP？: 2.4364
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3