Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)
TL;DR: Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) (CAS 63589-37-7) is a chemical compound with molecular formula C13H19ClN2 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-butylanilino)propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3-(butylphenylamino)-, monohydrochloride, 3-(N-butylanilino)propanenitrile hydrochloride, Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1), 3-[butyl(phenyl)amino]propanenitrile hydrochloride(1:1), 3-[Butyl(phenyl)amino]propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C13H19ClN2 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 3.63 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12367 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 63589-37-7 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=CC=C1.Cl |
| InChIKey | DHIHUSAORALPAK-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) (CAS 63589-37-7), with molecular formula C13H19ClN2 and molecular weight 238.12 g/mol. IUPAC: 3-(N-butylanilino)propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)
Property Insights of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)
The XLogP value of 3.63 indicates that Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) 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 Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)?
The CAS number of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) is 63589-37-7.
What is the molecular formula of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)?
The molecular formula of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) is C13H19ClN2.
What is the molecular weight of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)?
The molecular weight of Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) is 238.12 g/mol.
Where can I buy Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)?
You can request a quote for Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(butylphenylamino)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.