N-isopropylacetamidine
TL;DR: N-isopropylacetamidine (CAS 42717-36-2) is a chemical compound with molecular formula C5H12N2 and molecular weight 100.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-propan-2-ylethanimidamide
Also Known As: N-isopropylacetamidine, N1-Isopropylacetamidine, N'-propan-2-ylethanimidamide, N-(propan-2-yl)ethanimidamide, (1E)-N'-(Propan-2-yl)ethanimidamide
| Molecular Formula | C5H12N2 |
|---|---|
| Molecular Weight | 100.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.10005 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 42717-36-2 |
|---|---|
| SMILES | CC(C)N=C(C)N |
| InChIKey | DSEHWDFPVDXKQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-isopropylacetamidine (CAS 42717-36-2), with molecular formula C5H12N2 and molecular weight 100.10 g/mol. IUPAC: N'-propan-2-ylethanimidamide.
Chemical Property Profile of N-isopropylacetamidine
Property Insights of N-isopropylacetamidine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropylacetamidine. With a topological polar surface area (TPSA) of 38.4 Ų, N-isopropylacetamidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopropylacetamidine 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 N-isopropylacetamidine?
The CAS number of N-isopropylacetamidine is 42717-36-2.
What is the molecular formula of N-isopropylacetamidine?
The molecular formula of N-isopropylacetamidine is C5H12N2.
What is the molecular weight of N-isopropylacetamidine?
The molecular weight of N-isopropylacetamidine is 100.10 g/mol.
Where can I buy N-isopropylacetamidine?
You can request a quote for N-isopropylacetamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropylacetamidine?
Yes, KEHONG BIO provides custom synthesis services for N-isopropylacetamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.