4-(Dimethylamino)butyronitrile hydrochloride
TL;DR: 4-(Dimethylamino)butyronitrile hydrochloride (CAS 92503-78-1) is a chemical compound with molecular formula C6H13ClN2 and molecular weight 148.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyanopropyl(dimethyl)azanium chloride
Also Known As: 4-Dimethylamino-butyronitrile hydrochloride, Cloridrato di (3-cianopropil)dimetilammina, 3-cyanopropyl(dimethyl)azanium chloride, 4-(Dimethylamino)butyronitrile hydrochloride, Cloridrato di (3-cianopropil)dimetilammina [Italian]
| Molecular Formula | C6H13ClN2 |
|---|---|
| Molecular Weight | 148.08 g/mol |
| LogP | -3.56 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.07672 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 92503-78-1 |
|---|---|
| SMILES | C[NH+](C)CCCC#N.[Cl-] |
| InChIKey | WLZWRDJURXUELY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dimethylamino)butyronitrile hydrochloride (CAS 92503-78-1), with molecular formula C6H13ClN2 and molecular weight 148.08 g/mol. IUPAC: 3-cyanopropyl(dimethyl)azanium chloride.
Chemical Property Profile of 4-(Dimethylamino)butyronitrile hydrochloride
Property Insights of 4-(Dimethylamino)butyronitrile hydrochloride
The XLogP value of -3.56 indicates that 4-(Dimethylamino)butyronitrile hydrochloride 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)butyronitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)butyronitrile hydrochloride 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)butyronitrile hydrochloride?
The CAS number of 4-(Dimethylamino)butyronitrile hydrochloride is 92503-78-1.
What is the molecular formula of 4-(Dimethylamino)butyronitrile hydrochloride?
The molecular formula of 4-(Dimethylamino)butyronitrile hydrochloride is C6H13ClN2.
What is the molecular weight of 4-(Dimethylamino)butyronitrile hydrochloride?
The molecular weight of 4-(Dimethylamino)butyronitrile hydrochloride is 148.08 g/mol.
Where can I buy 4-(Dimethylamino)butyronitrile hydrochloride?
You can request a quote for 4-(Dimethylamino)butyronitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)butyronitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)butyronitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.