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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 Weight:
170.29999999999998 g/mol
Names and Synonyms:
Isophorone Diamine
RIM 137
HY 5161
Araldite HY 5161
LH 281
Epilox IPD
HY 3484
Rutadur SG
IPDA
Polypox IPD
Luxam IPD
Chemammina CA 17
Vestamin IPD
Araldite HY 5083
IPD
3,3,5-Trimethyl-5-aminomethylcyclohexylamine
1,3,3-Trimethyl-1-aminomethyl-5-aminocyclohexane
5-Amino-1,3,3-trimethylcyclohexanemethylamine
1-Amino-3,3,5-trimethyl-5-aminomethylcyclohexane
Isophorone diamine
1-Amino-3-(aminomethyl)-3,5,5-trimethylcyclohexane
3-Aminomethyl-3,5,5-trimethylcyclohexylamine
5-Amino-1,3,3-trimethylcyclohexanemethanamine
Cyclohexanemethylamine, 5-amino-1,3,3-trimethyl-
Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-
Vestamine IPDA
Rutapox H 550L
KH 816
Wanamine IPDA
Nitoprime 25 Hardener
1-Aminomethyl-5-amino-1,3,3-trimethyl cyclohexane
Aradur 42BD
Isophorondiamine
Aradur 42
Chemcure 331
Vestamid IPD
3-(Aminomethyl)-3,5,5-trimethylcyclohexanamine
Epicure 3300
Epikure 3300
EPH 943
Baxxodur EC 201
Vestanat IPD
3-Amino-1,5,5-trimethyl-1-cyclohexanemathanamine
Epikure 943
CeTePox 1314NFN
D 230
3-Aminomethyl-3,5,5-trimethyl-1-cyclohexylamine
Identifiers:
SMILES:
CC1(C)CC(N)CC(C)(CN)C1
InChI:
InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3
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 | 170.30 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Isophorone_diamine None | Legacy Database |
| cas-boiling-point | 247 °C None | Legacy Database |
| cas-canonical-smile | NCC1(C)CC(N)CC(C)(C)C1 None | Legacy Database |
| cas-density | 0.922 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=RNLHGQLZWXBQNY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 10 °C None | Legacy Database |
| cas-name | Isophorone diamine None | Legacy Database |
| wikipedia-name | Isophorone diamine None | Legacy Database |
| LogP | 1.4888000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 170.29999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 170.17829870399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.04 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 52.76880000000003 | RDKit |
