1,2-二甲基-1H-吲哚-3-乙胺
TL;DR: 1,2-二甲基-1H-吲哚-3-乙胺 (CAS 17726-03-3) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二甲基-1H-吲哚-3-乙胺
2-(1,2-dimethylindol-3-yl)ethanamine
Also Known As: Diacetyl trimer, 1,2-Dimethyltryptamine, 1,2-Dimethyl-1H-indole-3-ethylamine, 2,3-Butanedione trimer, 2-(1,2-dimethylindol-3-yl)ethanamine
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 17726-03-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)CCN |
| InChIKey | KBEZJUQXXJDBDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二甲基-1H-吲哚-3-乙胺 (CAS 17726-03-3), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(1,2-dimethylindol-3-yl)ethanamine.
Chemical Property Profile of 1,2-二甲基-1H-吲哚-3-乙胺
Property Insights of 1,2-二甲基-1H-吲哚-3-乙胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-二甲基-1H-吲哚-3-乙胺. With a topological polar surface area (TPSA) of 31.0 Ų, 1,2-二甲基-1H-吲哚-3-乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二甲基-1H-吲哚-3-乙胺 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-二甲基-1H-吲哚-3-乙胺?
The CAS number of 1,2-二甲基-1H-吲哚-3-乙胺 is 17726-03-3.
What is the molecular formula of 1,2-二甲基-1H-吲哚-3-乙胺?
The molecular formula of 1,2-二甲基-1H-吲哚-3-乙胺 is C12H16N2.
What is the molecular weight of 1,2-二甲基-1H-吲哚-3-乙胺?
The molecular weight of 1,2-二甲基-1H-吲哚-3-乙胺 is 188.13 g/mol.
Where can I buy 1,2-二甲基-1H-吲哚-3-乙胺?
You can request a quote for 1,2-二甲基-1H-吲哚-3-乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二甲基-1H-吲哚-3-乙胺?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二甲基-1H-吲哚-3-乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.