4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)
TL;DR: 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) (CAS 7475-72-1) is a chemical compound with molecular formula C18H21ClN2 and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-3,3-diphenylpropyl)-dimethylazanium chloride
Also Known As: 4-(Dimethylamino)-2,2-diphenylbutyronitrile hydrochloride, (3-cyano-3,3-diphenylpropyl)-dimethylazanium chloride, BUTYRONITRILE, 4-(DIMETHYLAMINO)-2,2-DIPHENYL-, HYDROCHLORIDE, 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1), RefChem:1070094
| Molecular Formula | C18H21ClN2 |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.1393 |
| Heavy Atoms | 21 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 7475-72-1 |
|---|---|
| SMILES | C[NH+](C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | TVNSVUNDENKORK-UHFFFAOYSA-N |
Product Overview
4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) (CAS 7475-72-1), with molecular formula C18H21ClN2 and molecular weight 300.14 g/mol. IUPAC: (3-cyano-3,3-diphenylpropyl)-dimethylazanium chloride.
Chemical Property Profile of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)
Property Insights of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)
The XLogP value of -0.97 indicates that 4-(Dimethylamino)-2,2-diphenylbutanenitrile--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, 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-2,2-diphenylbutanenitrile--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 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)?
The CAS number of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) is 7475-72-1.
What is the molecular formula of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)?
The molecular formula of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) is C18H21ClN2.
What is the molecular weight of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)?
The molecular weight of 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) is 300.14 g/mol.
Where can I buy 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)?
You can request a quote for 4-(Dimethylamino)-2,2-diphenylbutanenitrile--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 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-2,2-diphenylbutanenitrile--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.