CAS 136-17-4|1-N-phenylbenzene-1,2,4-triamine|2,4-DIAMINODIPHENYLAMINE|1-N-phenylbenzene-1,2,4-triamine|2,4-二氨基二苯基胺|2,4-Diaminodiphenylamine|N(1)Phenyl-1,2,4-benzenetriamine

Molecular Formula

C₁₂H₁₃N₃

Molecular Mass

199.25172

Exact Mass

199.11094743

InChI

InChI=1S/C12H13N3/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,15H,13-14H2

InChIKey

VOSLIUIVGWBSOK-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)N)Nc1ccccc1

Isomeric Smiles

Nc1ccc(Nc2ccccc2)c(N)c1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2240275

LogD (pH = 7.4)

1.7422341

Log P

1.7553197

Molar Refractivity

63.945

Polarizability

23.362154

Polar Surface Area

64.07

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

8683

IUPAC Traditional name

1-N-phenylbenzene-1,2,4-triamine

Synonyms

2,4-DIAMINODIPHENYLAMINE2,4-二氨基二苯基胺2,4-DiaminodiphenylamineN(1)Phenyl-1,2,4-benzenetriamine

IUPAC name

1-N-phenylbenzene-1,2,4-triamine

PubChem SID

162095652

MDL Number

MFCD00025285

MSDS Link

Download link

GHS Pictograms

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Precautionary statements

P260-P301+P310-P361-P302+P352-P405-P501A

Safety Statements

4-9-20-27-36/37-45

Risk Statements

23/24/25-33

Hazard Class

6.1

Packing Group

III

TSCA Listed

否

GHS Hazard statements

H301-H311-H331-H373

European Hazard Symbols

Toxic (T)

UN Number

UN2811

Product Information

Certificate of Analysis

Download link

Purity

98%

Physical Property

Melting Point

129-131°C

No Data Available

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No Data Available

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MP Biomedicals

05209115

MP Biomedicals Rare Chemical collection

No Data Available

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Academic Data

PubChem

8683

IUPAC Traditional name

1-N-phenylbenzene-1,2,4-triamine

Synonyms

2,4-DIAMINODIPHENYLAMINE2,4-二氨基二苯基胺2,4-DiaminodiphenylamineN(1)Phenyl-1,2,4-benzenetriamine

IUPAC name

1-N-phenylbenzene-1,2,4-triamine

PubChem SID

162095652

MDL Number

MFCD00025285

Safety Information

Product Information

Certificate of Analysis

Download link

Purity

98%

Physical Property

Melting Point

129-131°C

MP Biomedicals

05209115

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Molecule

ID:108891