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2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]-

HCID 66860
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
101-15-5
Standard SMILES
Cc1cc(N=C2C=CC(=O)C=C2)ccc1N
InChIKey
RWIMGHAFJNQGDH-UHFFFAOYSA-N
Molecular formula
C13H12N2O
Average molar mass
212.25 g/mol
Monoisotopic mass
212.09496301

Names & identifiers

Preferred name
2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]-
IUPAC
4-(4-amino-3-methylphenyl)iminocyclohexa-2,5-dien-1-one
English name
4-[(4-amino-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one
Molecular formula
C13H12N2O
Molecular weight
212.25

Names & synonyms

2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]-DTXSID20592272,5-Cyclohexadien-1-one, 4-((4-amino-3-methylphenyl)imino)-RefChem:444164DTXCID0032576101-15-54-(4-amino-3-methylphenyl)iminocyclohexa-2,5-dien-1-one4-[(4-AMINO-3-METHYLPHENYL)IMINO]CYCLOHEXA-2,5-DIEN-1-ONE4-((4-Amino-3-methylphenyl)imino)cyclohexa-2,5-dien-1-oneIndotoluidineIndo-o-toluidineEINECS 202-919-4
Show more names
4-(4-Amino-3-methylphenylimino)-2,5-cyclohexadien-1-one4-[(4-Amino-3-methylphenyl)imino]-2,5-cyclohexadien-1-one
RWIMGHAFJNQGDH-UHFFFAOYSA-NSCHEMBL29203700NS00023032

Database identifiers

CAS
101-15-5
PubChem CID
66860
DTXSID
DTXSID2059227
EC Number
202-919-4
Nikkaji

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
55.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
350

Physicochemical properties

EPA Substance Registry System
2 · 2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]- (101-15-5)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]-: INACTIVE

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
J29.577I