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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 Mass:
136.20 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
Key Properties
Boiling Point
247 °C
CAS Common Chemistry
Melting Point
14.1 °C
CAS Common Chemistry
Density
1.05 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.198 g/mol | RDKit | |
| 136.100048384 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.05 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/M-Xylylenediamine | CAS Common Chemistry |
| Boiling Point | 247 °C | CAS Common Chemistry |
| Canonical SMILES | NCC1=CC=CC(=C1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FDLQZKYLHJJBHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 14.1 °C | CAS Common Chemistry |
| Name | m-Xylylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 0.604 | RDKit |
| Molar Refractivity | 42.224800000000016 | RDKit |
