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Molecule
Isophorone Diamine
CAS: 2855-13-2 · C10H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2855-13-2
- Molecular Formula
- C10H22N2
- Molecular Mass
- 170.30 g/mol
Identifiers
CAS Registry Number
2855-13-2
SMILES
CC1(C)CC(N)CC(C)(CN)C1
InChI Key
RNLHGQLZWXBQNY-UHFFFAOYSA-N
InChI
InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3
Names and Synonyms
- Isophorone Diamine Common Name
- Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl- Synonym
- Cyclohexanemethylamine, 5-amino-1,3,3-trimethyl- Synonym
- 5-Amino-1,3,3-trimethylcyclohexanemethanamine Synonym
- 3-Aminomethyl-3,5,5-trimethylcyclohexylamine Synonym
- 1-Amino-3-(aminomethyl)-3,5,5-trimethylcyclohexane Synonym
- Isophorone diamine Synonym
- 1-Amino-3,3,5-trimethyl-5-aminomethylcyclohexane Synonym
- 5-Amino-1,3,3-trimethylcyclohexanemethylamine Synonym
- 1,3,3-Trimethyl-1-aminomethyl-5-aminocyclohexane Synonym
- 3,3,5-Trimethyl-5-aminomethylcyclohexylamine Synonym
- IPD Synonym
- Araldite HY 5083 Synonym
- Vestamin IPD Synonym
- Chemammina CA 17 Synonym
- Luxam IPD Synonym
- Polypox IPD Synonym
- IPDA Synonym
- Rutadur SG Synonym
- HY 3484 Synonym
- Epilox IPD Synonym
- LH 281 Synonym
- Araldite HY 5161 Synonym
- HY 5161 Synonym
- 3-Aminomethyl-3,5,5-trimethyl-1-cyclohexylamine Synonym
- Rutapox H 550L Synonym
- Vestamine IPDA Synonym
- RIM 137 Synonym
- D 230 Synonym
- CeTePox 1314NFN Synonym
- Epikure 943 Synonym
- 3-Amino-1,5,5-trimethyl-1-cyclohexanemathanamine Synonym
- Vestanat IPD Synonym
- Baxxodur EC 201 Synonym
- EPH 943 Synonym
- Epikure 3300 Synonym
- Epicure 3300 Synonym
- 3-(Aminomethyl)-3,5,5-trimethylcyclohexanamine Synonym
- Vestamid IPD Synonym
- Chemcure 331 Synonym
- Aradur 42 Synonym
- Isophorondiamine Synonym
- Aradur 42BD Synonym
- 1-Aminomethyl-5-amino-1,3,3-trimethyl cyclohexane Synonym
- Nitoprime 25 Hardener Synonym
- Wanamine IPDA Synonym
- KH 816 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.30 g/mol | CAS Common Chemistry |
| 170.29999999999998 g/mol | RDKit | |
| 170.3 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.922 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isophorone_diamine | CAS Common Chemistry |
| Boiling Point | 247 °C | CAS Common Chemistry |
| Canonical SMILES | NCC1(C)CC(N)CC(C)(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RNLHGQLZWXBQNY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | Isophorone diamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 1.4888000000000001 | RDKit |
| 1.4888 | RDKit | |
| Molar Refractivity | 52.76880000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.17829870399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 170.30 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22N2.
