3-Phenylpropane-1,2-diamine
TL;DR: 3-Phenylpropane-1,2-diamine (CAS 85612-60-8) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropane-1,2-diamine
Also Known As: 3-phenylpropane-1,2-diamine, 1,2-Propanediamine, 3-phenyl-, 1-benzyl-ethylenediamine, 1,2-Propanediamine, 3-phenyl-, 1,2-diamino-3-phenylpropane
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 85612-60-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CN)N |
| InChIKey | CXFFQOZYXJHZNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropane-1,2-diamine (CAS 85612-60-8), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: 3-phenylpropane-1,2-diamine.
Chemical Property Profile of 3-Phenylpropane-1,2-diamine
Property Insights of 3-Phenylpropane-1,2-diamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropane-1,2-diamine. With a topological polar surface area (TPSA) of 52.0 Ų, 3-Phenylpropane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropane-1,2-diamine has 2 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-Phenylpropane-1,2-diamine?
The CAS number of 3-Phenylpropane-1,2-diamine is 85612-60-8.
What is the molecular formula of 3-Phenylpropane-1,2-diamine?
The molecular formula of 3-Phenylpropane-1,2-diamine is C9H14N2.
What is the molecular weight of 3-Phenylpropane-1,2-diamine?
The molecular weight of 3-Phenylpropane-1,2-diamine is 150.12 g/mol.
Where can I buy 3-Phenylpropane-1,2-diamine?
You can request a quote for 3-Phenylpropane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.