Dimethylaminomethylbenzylcyanide
TL;DR: Dimethylaminomethylbenzylcyanide (CAS 2873-99-6) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-phenylpropanenitrile
Also Known As: Dimethylaminomethylbenzylcyanide, NCIOpen2_004010, 3-dimethylamino-2-phenyl-propionitrile, 3-(dimethylamino)-2-phenylpropanenitrile, Hydratroponitrile, beta-dimethyl-amino-
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 2873-99-6 |
|---|---|
| SMILES | CN(C)CC(C#N)C1=CC=CC=C1 |
| InChIKey | ZTNOFXWFGLEHGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylaminomethylbenzylcyanide (CAS 2873-99-6), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 3-(dimethylamino)-2-phenylpropanenitrile.
Chemical Property Profile of Dimethylaminomethylbenzylcyanide
Property Insights of Dimethylaminomethylbenzylcyanide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylaminomethylbenzylcyanide. With a topological polar surface area (TPSA) of 27.0 Ų, Dimethylaminomethylbenzylcyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylaminomethylbenzylcyanide has 0 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 Dimethylaminomethylbenzylcyanide?
The CAS number of Dimethylaminomethylbenzylcyanide is 2873-99-6.
What is the molecular formula of Dimethylaminomethylbenzylcyanide?
The molecular formula of Dimethylaminomethylbenzylcyanide is C11H14N2.
What is the molecular weight of Dimethylaminomethylbenzylcyanide?
The molecular weight of Dimethylaminomethylbenzylcyanide is 174.12 g/mol.
Where can I buy Dimethylaminomethylbenzylcyanide?
You can request a quote for Dimethylaminomethylbenzylcyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylaminomethylbenzylcyanide?
Yes, KEHONG BIO provides custom synthesis services for Dimethylaminomethylbenzylcyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.