Isophorone diamine

CAS 2855-13-2  ·  C10H22N2  ·  MW 170.30 g/mol

Loading molecule...
3D model Isophorone diamine, CAS 2855-13-2, molecular formula C10H22N2, molar mass 170.30 g/mol
About Isophorone diamine

Isophorone diamine is a chemical compound registered under number CAS 2855-13-2, with the molecular formula C10H22N2, and a molar mass of 170.30 g/mol.

The molecule contains 34 atoms connected by 34 chemical bonds. The full systematic IUPAC name of this compound is 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 52 Ų, 2 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H22N2
Masa molowa170.30 g/mol
IUPAC3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
SMILESCC1(CC(CC(C1)(C)CN)N)C
InChIKeyRNLHGQLZWXBQNY-UHFFFAOYSA-N
logP (XLogP3)1.1
PSA52 Ų
HBD / HBA2 / 2
PubChem CIDCID 17857 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H318 — Powoduje poważne uszkodzenie oczu

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Related literature

14 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (14 articles)

2002: 1 articles20022011: 2 articles2015: 2 articles20152016: 1 articles2020: 1 articles2020

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
Isophorone diamine (CAS 2855-13-2), C10H22N2 - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewPobierz obraz

MG-STL-2855-13-2-GRAVERED · 352,710 △ · 17 MB · SHA-256 d1a2797a994f68d2

Download 3D model · C H N

Isophorone diamine (CAS 2855-13-2), C10H22N2 - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-2855-13-2-NORMAL · 14,144 △ · 691 KB · SHA-256 789378373d53c59a

Download 3D model

Model
Isophorone diamine · 2855-13-2
InChIKey
RNLHGQLZWXBQNY-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Isophorone diamine (CAS 2855-13-2)
License & provenance record
Isophorone diamine (CAS 2855-13-2) →
MolGod molecule record
Isophorone diamine →
Source data
PubChem CID 17857 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-26
SHA-256 (STL)
789378373d53c59adc4763a8277aaf47402fbe6ea0c1304dd6769523ce7bbda6
MD5 (STL)
aa9013fc1e12555ae844cea451f55d81
Model identifier
MG-STL-2855-13-2
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

—