(3,4-dihydro-1H-isochromen-1-ylmethyl)amine
TL;DR: (3,4-dihydro-1H-isochromen-1-ylmethyl)amine (CAS 5464-80-2) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isochromen-1-ylmethanamine
Also Known As: Isochroman-1-ylmethanamine, C-Isochroman-1-yl-methylamine, isochromanylmethylamine, 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-, (3,4-dihydro-1H-isochromen-1-ylmethyl)amine
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 5464-80-2 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CN |
| InChIKey | ILJDAFPFCCVDKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4-dihydro-1H-isochromen-1-ylmethyl)amine (CAS 5464-80-2), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 3,4-dihydro-1H-isochromen-1-ylmethanamine.
Chemical Property Profile of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine
Property Insights of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-dihydro-1H-isochromen-1-ylmethyl)amine. With a topological polar surface area (TPSA) of 35.3 Ų, (3,4-dihydro-1H-isochromen-1-ylmethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-dihydro-1H-isochromen-1-ylmethyl)amine has 1 hydrogen bond donor(s) and 2 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 (3,4-dihydro-1H-isochromen-1-ylmethyl)amine?
The CAS number of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine is 5464-80-2.
What is the molecular formula of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine?
The molecular formula of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine is C10H13NO.
What is the molecular weight of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine?
The molecular weight of (3,4-dihydro-1H-isochromen-1-ylmethyl)amine is 163.10 g/mol.
Where can I buy (3,4-dihydro-1H-isochromen-1-ylmethyl)amine?
You can request a quote for (3,4-dihydro-1H-isochromen-1-ylmethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dihydro-1H-isochromen-1-ylmethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dihydro-1H-isochromen-1-ylmethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.