Isopropylbenzylamine
TL;DR: Isopropylbenzylamine (CAS 102-97-6) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzylpropan-2-amine
Also Known As: N-Isopropylbenzylamine, N-Benzylisopropylamine, Isopropylbenzylamine, N-benzylpropan-2-amine, Benzylisopropylamine
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 102-97-6 |
|---|---|
| SMILES | CC(C)NCC1=CC=CC=C1 |
| InChIKey | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylbenzylamine (CAS 102-97-6), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: N-benzylpropan-2-amine.
Chemical Property Profile of Isopropylbenzylamine
Property Insights of Isopropylbenzylamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropylbenzylamine. With a topological polar surface area (TPSA) of 12.0 Ų, Isopropylbenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylbenzylamine 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 Isopropylbenzylamine?
The CAS number of Isopropylbenzylamine is 102-97-6.
What is the molecular formula of Isopropylbenzylamine?
The molecular formula of Isopropylbenzylamine is C10H15N.
What is the molecular weight of Isopropylbenzylamine?
The molecular weight of Isopropylbenzylamine is 149.12 g/mol.
Where can I buy Isopropylbenzylamine?
You can request a quote for Isopropylbenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylbenzylamine?
Yes, KEHONG BIO provides custom synthesis services for Isopropylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.