N3,N3-dimethylisoquinoline-1,3-diamine
TL;DR: N3,N3-dimethylisoquinoline-1,3-diamine (CAS 58814-55-4) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N-dimethylisoquinoline-1,3-diamine
Also Known As: 1-Amino-3-dimethylamino-isochinolin, N3,N3-dimethylisoquinoline-1,3-diamine, 3-N,3-N-dimethylisoquinoline-1,3-diamine, N',N'-dimethylisoquinoline-1,3-diamine, N-(1-amino-3-isoquinolinyl)-N,N-dimethylamine
| Molecular Formula | C11H13N3 |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.11095 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 58814-55-4 |
|---|---|
| SMILES | CN(C)C1=CC2=CC=CC=C2C(=N1)N |
| InChIKey | HIARQWAOAUEZDE-UHFFFAOYSA-N |
Product Overview
N3,N3-dimethylisoquinoline-1,3-diamine (CAS 58814-55-4), with molecular formula C11H13N3 and molecular weight 187.11 g/mol. IUPAC: 3-N,3-N-dimethylisoquinoline-1,3-diamine.
Chemical Property Profile of N3,N3-dimethylisoquinoline-1,3-diamine
Property Insights of N3,N3-dimethylisoquinoline-1,3-diamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N3,N3-dimethylisoquinoline-1,3-diamine. With a topological polar surface area (TPSA) of 42.2 Ų, N3,N3-dimethylisoquinoline-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N3,N3-dimethylisoquinoline-1,3-diamine has 1 hydrogen bond donor(s) and 3 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 N3,N3-dimethylisoquinoline-1,3-diamine?
The CAS number of N3,N3-dimethylisoquinoline-1,3-diamine is 58814-55-4.
What is the molecular formula of N3,N3-dimethylisoquinoline-1,3-diamine?
The molecular formula of N3,N3-dimethylisoquinoline-1,3-diamine is C11H13N3.
What is the molecular weight of N3,N3-dimethylisoquinoline-1,3-diamine?
The molecular weight of N3,N3-dimethylisoquinoline-1,3-diamine is 187.11 g/mol.
Where can I buy N3,N3-dimethylisoquinoline-1,3-diamine?
You can request a quote for N3,N3-dimethylisoquinoline-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N3,N3-dimethylisoquinoline-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N3,N3-dimethylisoquinoline-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.