4,4′-Diaminodiphenylmethane-d8|4,4′-Methylenedianiline-2,2′,6,6′,N,N,N′,N′-d8|4-({4-[(2H2)amino](3,5-2H2)phenyl}methyl)(2,6-2H2</sub...

Molecular Formula

C₁₃H₁₄N₂

Molecular Mass

198.26366

Exact Mass

198.11569846

InChI

InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

InChIKey

YBRVSVVVWCFQMG-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)Cc1ccc(cc1)N

Isomeric Smiles

c1cc(ccc1N)Cc1ccc(cc1)N

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.3223531

LogD (pH = 7.4)

2.4060383

Log P

2.407188

Molar Refractivity

65.196

Polarizability

24.034214

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

4,4′-Diaminodiphenylmethane-d84,4′-Methylenedianiline-2,2′,6,6′,N,N,N′,N′-d8

IUPAC name

4-({4-[(²H₂)amino](3,5-²H₂)phenyl}methyl)(2,6-²H₂)aniline

IUPAC Traditional name

4-({4-[(²H₂)amino](3,5-²H₂)phenyl}methyl)(2,6-²H₂)aniline

MDL Number

MFCD06658834

PubChem SID

162230687

PubChem CID

71309794

Safety Information

Safety Statements

53-45-61

European Hazard Symbols

Toxic (T)

Nature polluting (N)

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Download link

P201-P260-P273-P280-P307+P311

H317-H341-H350-H370-H373-H411

Danger

45-39/23/24/25-43-48/20/21/22-51/53-68

Physical Property

Product Information

98 atom % D

98% (CP)

C13D8H6N2

mol wt 206.15 by atom % calculation

No Data Available

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No Data Available

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Sigma Aldrich

733911

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

Synonyms

4,4′-Diaminodiphenylmethane-d84,4′-Methylenedianiline-2,2′,6,6′,N,N,N′,N′-d8

IUPAC name

4-({4-[(²H₂)amino](3,5-²H₂)phenyl}methyl)(2,6-²H₂)aniline

IUPAC Traditional name

4-({4-[(²H₂)amino](3,5-²H₂)phenyl}methyl)(2,6-²H₂)aniline

MDL Number

PubChem SID

PubChem CID

733911

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Safety Information

Safety Statements

53-45-61

European Hazard Symbols

Toxic (T)

Nature polluting (N)

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Download link

P201-P260-P273-P280-P307+P311

H317-H341-H350-H370-H373-H411

Danger

45-39/23/24/25-43-48/20/21/22-51/53-68

Physical Property

Product Information

98 atom % D

98% (CP)

C13D8H6N2

mol wt 206.15 by atom % calculation

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), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Molecule

ID:136417