3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)
TL;DR: 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) (CAS 67195-46-4) is a chemical compound with molecular formula C17H19ClN2 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl(2-cyanoethyl)azanium chloride
Also Known As: N-(2-Cyanoethyl)dibenzylamine hydrochloride, dibenzyl(2-cyanoethyl)azanium chloride, DIBENZYLAMINE, N-(2-CYANOETHYL)-, HYDROCHLORIDE, 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1), Propanenitrile, 3-[bis(phenylmethyl)amino]-, monohydrochloride
| Molecular Formula | C17H19ClN2 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.1237 |
| Heavy Atoms | 20 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 67195-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCC#N)CC2=CC=CC=C2.[Cl-] |
| InChIKey | RXGSEWICJZSHEO-UHFFFAOYSA-N |
Product Overview
3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) (CAS 67195-46-4), with molecular formula C17H19ClN2 and molecular weight 286.12 g/mol. IUPAC: dibenzyl(2-cyanoethyl)azanium chloride.
Chemical Property Profile of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)
Property Insights of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)
The XLogP value of -0.81 indicates that 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.2 Ų, 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dibenzylamino)propanenitrile--hydrogen chloride (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 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)?
The CAS number of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) is 67195-46-4.
What is the molecular formula of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)?
The molecular formula of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) is C17H19ClN2.
What is the molecular weight of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)?
The molecular weight of 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) is 286.12 g/mol.
Where can I buy 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)?
You can request a quote for 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dibenzylamino)propanenitrile--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.