3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
TL;DR: 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 53661-19-1) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, KBLVALNQDHHHHA-UHFFFAOYSA-, 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-amino-, 3-AMINO-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE, 5,6,7,8-Tetrahydro-3-amino-4-isoquinolinecarbonitrile
| Molecular Formula | C10H11N3 |
|---|---|
| Molecular Weight | 173.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.09529 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 53661-19-1 |
|---|---|
| SMILES | C1CCC2=C(C(=NC=C2C1)N)C#N |
| InChIKey | KBLVALNQDHHHHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 53661-19-1), with molecular formula C10H11N3 and molecular weight 173.10 g/mol. IUPAC: 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
Property Insights of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile. Following Lipinski's Rule of Five, 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 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 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The CAS number of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 53661-19-1.
What is the molecular formula of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular formula of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is C10H11N3.
What is the molecular weight of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular weight of 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 173.10 g/mol.
Where can I buy 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
You can request a quote for 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.