N'-benzyl-N'-cyclopropylethane-1,2-diamine
TL;DR: N'-benzyl-N'-cyclopropylethane-1,2-diamine (CAS 91907-31-2) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzyl-N'-cyclopropylethane-1,2-diamine
Also Known As: N'-benzyl-N'-cyclopropylethane-1,2-diamine, N-benzyl-N-cyclopropylethylenediamine, N-cyclopropyl-N-benzylethylenediamine, N~1~-Benzyl-N~1~-cyclopropylethane-1,2-diamine, 1,2-Ethanediamine,n1-cyclopropyl-n1-(phenylmethyl)-
| Molecular Formula | C12H18N2 |
|---|---|
| Molecular Weight | 190.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.147 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 91907-31-2 |
|---|---|
| SMILES | C1CC1N(CCN)CC2=CC=CC=C2 |
| InChIKey | GSKTVDXUOMLCFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N'-benzyl-N'-cyclopropylethane-1,2-diamine (CAS 91907-31-2), with molecular formula C12H18N2 and molecular weight 190.15 g/mol. IUPAC: N'-benzyl-N'-cyclopropylethane-1,2-diamine.
Chemical Property Profile of N'-benzyl-N'-cyclopropylethane-1,2-diamine
Property Insights of N'-benzyl-N'-cyclopropylethane-1,2-diamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-benzyl-N'-cyclopropylethane-1,2-diamine. With a topological polar surface area (TPSA) of 29.3 Ų, N'-benzyl-N'-cyclopropylethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-benzyl-N'-cyclopropylethane-1,2-diamine 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 N'-benzyl-N'-cyclopropylethane-1,2-diamine?
The CAS number of N'-benzyl-N'-cyclopropylethane-1,2-diamine is 91907-31-2.
What is the molecular formula of N'-benzyl-N'-cyclopropylethane-1,2-diamine?
The molecular formula of N'-benzyl-N'-cyclopropylethane-1,2-diamine is C12H18N2.
What is the molecular weight of N'-benzyl-N'-cyclopropylethane-1,2-diamine?
The molecular weight of N'-benzyl-N'-cyclopropylethane-1,2-diamine is 190.15 g/mol.
Where can I buy N'-benzyl-N'-cyclopropylethane-1,2-diamine?
You can request a quote for N'-benzyl-N'-cyclopropylethane-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 N'-benzyl-N'-cyclopropylethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N'-benzyl-N'-cyclopropylethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.