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4,4'-Methylenedianiline
CAS: 101-77-9 | C13H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-77-9
Molecular Formula:
C13H14N2
Molecular Weight:
198.269 g/mol
Names and Synonyms:
4,4'-Methylenedianiline
HT 972
Benzenamine, 4,4′-methylenebis-
Aniline, 4,4′-methylenedi-
Aniline, p,p′-methylenebis-
4,4′-Methylenebis[benzenamine]
Bis(4-aminophenyl)methane
p,p′-Diaminodiphenylmethane
4,4′-Diaminodiphenylmethane
p,p′-Methylenedianiline
4,4′-Methylenedianiline
Tonox
Bis(p-aminophenyl)methane
4,4′-Methylenebis(aniline)
Dianilinemethane
Diaminodiphenylmethane
Methylenedianiline
Epicure DDM
4,4′-Diphenylmethanediamine
4-(p-Aminobenzyl)aniline
Di(4-aminophenyl)methane
Bis(aminophenyl)methane
4,4′-Methylenedibenzenamine
DDM
Araldite Hardener 972
Ancamine TL
Sumicure M
Araldite HT 972
Araldite Hardener HT 972
4-(4-Aminobenzyl)aniline
Acmex H 84BM
Araldite R 972
XU-HY 205
Ancamine 1692
Dianilinomethane
NSC 4709
Araldite HY 972
DAM
MDA 2200
DEH 50
Kayahard PT-AA
4,4′-Diaminodiphenylenemethane
Tonox MDA
4,4′-Diaminobiphenylmethane
4,4′-Methylenediphenylamine
MDA 100
4,4-Diaminodiphenylmethane
MDA
Amicure 101
4-(4-Aminobenzyl)benzenamine
4,4′-Diaminophenylmethane
Aradur HT 972GB
4,4′-Methylenebisbenzeneamine
Wanamine MDA
4-[(4-Aminophenyl)methyl]aniline
[4-(4-Aminobenzyl)phenyl]amine
DMA 100
Ancamine 1734
Xylink 311
K 6
Identifiers:
SMILES:
Nc1ccc(Cc2ccc(N)cc2)cc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 198.27 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/4,4%27-Methylenedianiline None | Legacy Database |
| cas-boiling-point | 398-399 °C @ Press: 768 Torr None | Legacy Database |
| cas-canonical-smile | NC1=CC=C(C=C1)CC2=CC=C(N)C=C2 None | Legacy Database |
| cas-density | 1.056 g/cm3 @ Temp: 100 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=YBRVSVVVWCFQMG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 91.5-92 °C None | Legacy Database |
| cas-name | 4,4-Diaminodiphenylmethane None | Legacy Database |
| wikipedia-name | 4,4'-Methylenedianiline None | Legacy Database |
| LogP | 2.4418000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 198.269 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 198.115698448 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.04 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 64.51480000000002 | RDKit |
