(1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)
TL;DR: (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) (CAS 101756-36-9) is a chemical compound with molecular formula C9H14ClN3 and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-1-ium-4-yl)propanedinitrile chloride
Also Known As: 2-(1-methylpiperidin-1-ium-4-yl)propanedinitrile chloride, 4-(dicyanomethyl)-1-methylpiperidinium chloride, 2-(1-methylpiperidin-1-ium-4-yl)propanedinitrile, MALONONITRILE, (1-METHYL-4-PIPERIDINYL)-, HYDROCHLORIDE, DIHYDRATE, 1-Methyl-delta (sup 4),alpha-piperidinemalononitrile hydrochloride dihydrate
| Molecular Formula | C9H14ClN3 |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | -3.42 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.08763 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 101756-36-9 |
|---|---|
| SMILES | C[NH+]1CCC(CC1)C(C#N)C#N.[Cl-] |
| InChIKey | ZSRQMXPWMSHUMT-UHFFFAOYSA-N |
Product Overview
(1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) (CAS 101756-36-9), with molecular formula C9H14ClN3 and molecular weight 199.09 g/mol. IUPAC: 2-(1-methylpiperidin-1-ium-4-yl)propanedinitrile chloride.
Chemical Property Profile of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)
Property Insights of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)
The XLogP value of -3.42 indicates that (1-Methylpiperidin-4-yl)propanedinitrile--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 52.0 Ų, (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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 (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)?
The CAS number of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) is 101756-36-9.
What is the molecular formula of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)?
The molecular formula of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) is C9H14ClN3.
What is the molecular weight of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)?
The molecular weight of (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) is 199.09 g/mol.
Where can I buy (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)?
You can request a quote for (1-Methylpiperidin-4-yl)propanedinitrile--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 (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylpiperidin-4-yl)propanedinitrile--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.