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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 Mass:
170.30 g/mol
Names and Synonyms:
Isophorone Diamine
Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-
Cyclohexanemethylamine, 5-amino-1,3,3-trimethyl-
5-Amino-1,3,3-trimethylcyclohexanemethanamine
3-Aminomethyl-3,5,5-trimethylcyclohexylamine
1-Amino-3-(aminomethyl)-3,5,5-trimethylcyclohexane
Isophorone diamine
1-Amino-3,3,5-trimethyl-5-aminomethylcyclohexane
5-Amino-1,3,3-trimethylcyclohexanemethylamine
1,3,3-Trimethyl-1-aminomethyl-5-aminocyclohexane
3,3,5-Trimethyl-5-aminomethylcyclohexylamine
IPD
Araldite HY 5083
Vestamin IPD
Chemammina CA 17
Luxam IPD
Polypox IPD
IPDA
Rutadur SG
HY 3484
Epilox IPD
LH 281
Araldite HY 5161
HY 5161
3-Aminomethyl-3,5,5-trimethyl-1-cyclohexylamine
Rutapox H 550L
Vestamine IPDA
RIM 137
D 230
CeTePox 1314NFN
Epikure 943
3-Amino-1,5,5-trimethyl-1-cyclohexanemathanamine
Vestanat IPD
Baxxodur EC 201
EPH 943
Epikure 3300
Epicure 3300
3-(Aminomethyl)-3,5,5-trimethylcyclohexanamine
Vestamid IPD
Chemcure 331
Aradur 42
Isophorondiamine
Aradur 42BD
1-Aminomethyl-5-amino-1,3,3-trimethyl cyclohexane
Nitoprime 25 Hardener
Wanamine IPDA
KH 816
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
Key Properties
Boiling Point
247 °C
CAS Common Chemistry
Melting Point
10 °C
CAS Common Chemistry
Density
0.92 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 | 170.30 g/mol | CAS Common Chemistry |
| 170.29999999999998 g/mol | RDKit | |
| 170.17829870399999 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 |
| Molar Refractivity | 52.76880000000003 | RDKit |
