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Molecule
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
Identifiers
CAS Registry Number
1477-55-0
SMILES
NCc1cccc(CN)c1
InChI Key
FDLQZKYLHJJBHD-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
Names and Synonyms
- M-Xylylenediamine Synonym
- 3-(Aminomethyl)benzylamine Synonym
- 1,3-Benzenebis(methylamine) Synonym
- MXDA Synonym
- Euredur 22 Synonym
- Epilink MX Synonym
- m-Xylylenediamine Synonym
- NSC 61568 Synonym
- Shoamine X Synonym
- Benzene-1,3-diyldimethanamine Synonym
- m-Xylylene-α,α′-diamine Synonym
- Aramine 31-487 Synonym
- m-Xylene diamine Synonym
- Aradur 22 Synonym
- 1,3-Phenylenedimethanamine Synonym
- [3-(Aminomethyl)phenyl]methanamine Synonym
- 1,3-Benzenedimethanamine Synonym
- m-Xylene-α,α′-diamine Synonym
- 1,3-Xylylenediamine Synonym
- α,α′-m-Xylenediamine Synonym
- m-(α,α′-Diamino)xylene Synonym
- 1,3-Bis(aminomethyl)benzene Synonym
- α,α′-Diamino-m-xylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.198 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 136.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
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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.
External Resources
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MW = 136.20 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2.
