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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.

External Resources

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

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