Benzenamine,3,3'-methylenebis-

Inquiry

Molecular Formula:

C13H14 N2

Molecular Weight:

198.26

CAS Number:

19471-12-6

Catalog Number:

19471-12-6

Product Information

Molecular Formula:

C13H14 N2

Molecular Weight:

198.26

Description

Benzenamine,3,3'-methylenebis- is an indispensable organic compound in the biomedical realm and assumes the pivotal role of a key intermediate for synthesizing diverse pharmacological agents. Its paramount significance resonates in the effective mitigation of afflictions such as cancer and autoimmune maladies. This compound has promising pharmaceutical properties and occupies an integral place in the innovation trajectory of drug breakthroughs.

Synonyms

3,3'-DIAMINODIPHENYLMETHANE; 3-(3-AMINOBENZYL)PHENYLAMINE; 3,3'-METHYLENEDIANILINE; 3,3-DIAMINODIPHENYLMETHANE 97%; 3,3'-Methylenebis(benzenamine); 3,3'-Methylenebisaniline; 3-[(3-aminophenyl)methyl]aniline; 3-[(3-azanylphenyl)methyl]aniline

IUPAC Name

3-[(3-aminophenyl)methyl]aniline

Canonical SMILES

C1=CC(=CC(=C1)N)CC2=CC(=CC=C2)N

InChI

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

InChI Key

CKOFBUUFHALZGK-UHFFFAOYSA-N

Boiling Point

192-195 °C(Press: 2 Torr)

Melting Point

81-84 °C(lit.)

Purity

>98.0%(T)

Density

1.143g/cm3

Appearance

White to Light yellow powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.115698455 g/mol

Monoisotopic Mass

198.115698455 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

173

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022043096-A	Resin composition, method for manufacturing cured relief pattern, and semiconductor device	2021-12-01
CN-114106324-A	Polyamide acid solution and preparation method and application thereof	2021-10-25
CN-113583242-A	Preparation method of polyimide film	2021-08-05
CN-113061340-A	Display device, polyimide precursor composition, polyimide film, and laminate	2021-06-04
CN-113061340-B	Display device, polyimide precursor composition, polyimide film, and laminate	2021-06-04
JP-2022022973-A	Adhesives and adhesive sheets	2021-04-23
JP-6982209-B1	Polyurethane-urea resin solution and articles	2021-04-08
KR-20210038508-A	High Modulus Polyimide Film And Flexible Metal Foil Clad Laminate Comprising the Same	2021-03-26
JP-6981522-B1	Thermosetting resin composition and its use	2020-12-15
KR-20200127929-A	Polyimide Film with Low Hygroscopicity And Flexible Metal Foil Clad Laminate Comprising the Same	2020-10-27

Literatures

PMID	Publication Date	Title	Journal
21447151	2011-03-29	Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies	Journal of occupational medicine and toxicology (London, England)
19734050	2009-10-01	Identification and characterization of novel sirtuin inhibitor scaffolds	Bioorganic & medicinal chemistry
12211634	2002-08-01	Analysis of markers of exposure to polymeric methylene-diphenyl diisocyanate (pMDI) in rats: a comparison of dermal and inhalation routes of exposure	Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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