CAS 4073-98-7|4,4'-Methylenebis(2,6-dimethylaniline)|4-(4-Amino-3,5-dimethylbenzyl)-2,6-dimethylaniline|4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline|4,4'-Methylenebis(2,6-dimethylanili...

Molecular Formula

C₁₇H₂₂N₂

Molecular Mass

254.36998

Exact Mass

254.17829871

InChI

InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3

InChIKey

OMHOXRVODFQGCA-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(Cc2cc(C)c(c(c2)C)N)cc(c1N)C

Isomeric Smiles

Nc1c(cc(cc1C)Cc1cc(c(c(c1)C)N)C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.416775

LogD (pH = 7.4)

4.460298

Log P

4.4608736

Molar Refractivity

85.3608

Polarizability

31.075487

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

77690

Synonyms

4-(4-Amino-3,5-dimethylbenzyl)-2,6-dimethylaniline4,4'-Methylenebis(2,6-dimethylaniline)4,4'-Methylenebis(2,6-dimethylaniline)3,3',5,5'-Tetramethyl-4,4'-diaminodiphenylmethane4,4'-Methylenebis(2,6-xylidine)4,4'-Methylenebis(2,6-dimethylaniline)4,4′-亚甲基双(2,6-二甲基苯胺)4,4′-Methylenebis(2,6-dimethylaniline)

IUPAC name

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

IUPAC Traditional name

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

MDL Number

MFCD00058680

CAS Number

4073-98-7

PubChem SID

24862000162041815

Storage Warning

Harmful

European Hazard Symbols

Harmful (Xn)

Nature polluting (N)

Toxic (T)

GHS Signal Word

Warning

Safety Statements

26-36

28-36/37-45-61

MSDS Link

Download link

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

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

GHS Hazard statements

H302-H312-H315-H319-H332-H335

H301-H311-H331-H373-H411

Risk Statements

20/21/22-36/37/38

23/24/25-33-51/53

GHS Precautionary statements

P261-P280-P305+P351+P338

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

German water hazard class

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Packing Group

UN Number

UN3452

Hazard Class

6.1

TSCA Listed

否

Physical Property

Melting Point

121-123 °C(lit.)

120-124°C

Product Information

Linear Formula

CH2[C6H2(CH3)2NH2]2

Purity

99%

98%

No Data Available

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No Data Available

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Sigma Aldrich

360791

Packaging
5 g in glass bottle

No Data Available

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Academic Data

PubChem

77690

Synonyms

IUPAC name

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

IUPAC Traditional name

4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

MDL Number

CAS Number

PubChem SID

360791

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Physical Property

Melting Point

121-123 °C(lit.)

120-124°C

Product Information

Linear Formula

CH2[C6H2(CH3)2NH2]2

Purity

99%

98%

Molecule

ID:76916