Benzenamine,3,3'-methylenebis-
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
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.
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].
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
198.115698455 g/mol
Monoisotopic Mass
198.115698455 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
173
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
