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M-Xylylenediamine
CAS: 1477-55-0 | C8H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1477-55-0
Molecular Formula:
C8H12N2
Molecular Weight:
136.198 g/mol
Names and Synonyms:
M-Xylylenediamine
3-(Aminomethyl)benzylamine
1,3-Benzenebis(methylamine)
MXDA
Euredur 22
Epilink MX
m-Xylylenediamine
NSC 61568
Shoamine X
Benzene-1,3-diyldimethanamine
m-Xylylene-α,α′-diamine
Aramine 31-487
m-Xylene diamine
Aradur 22
1,3-Phenylenedimethanamine
[3-(Aminomethyl)phenyl]methanamine
1,3-Benzenedimethanamine
m-Xylene-α,α′-diamine
1,3-Xylylenediamine
α,α′-m-Xylenediamine
m-(α,α′-Diamino)xylene
1,3-Bis(aminomethyl)benzene
α,α′-Diamino-m-xylene
Identifiers:
SMILES:
NCc1cccc(CN)c1
InChI:
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
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 | 136.20 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/M-Xylylenediamine None | Legacy Database |
| cas-boiling-point | 247 °C None | Legacy Database |
| cas-canonical-smile | NCC1=CC=CC(=C1)CN None | Legacy Database |
| cas-density | 1.05 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2 None | Legacy Database |
| cas-inchi-key | InChIKey=FDLQZKYLHJJBHD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 14.1 °C None | Legacy Database |
| cas-name | m-Xylylenediamine None | Legacy Database |
| wikipedia-name | m-Xylylenediamine None | Legacy Database |
| LogP | 0.604 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.198 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.100048384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 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 | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.04 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.224800000000016 | RDKit |
