3-(Benzylamino)propionitrile
TL;DR: 3-(Benzylamino)propionitrile (CAS 706-03-6) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)propanenitrile
Also Known As: 3-(Benzylamino)propanenitrile, 3-(Benzylamino)propionitrile, A-cyanoethyl)benzylamine, 2-Cyanoethylbenzylamine, N-Benzyl-2-cyanoethylamine
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 706-03-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCC#N |
| InChIKey | MWTGBAURSCEGSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzylamino)propionitrile (CAS 706-03-6), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 3-(benzylamino)propanenitrile.
Chemical Property Profile of 3-(Benzylamino)propionitrile
Property Insights of 3-(Benzylamino)propionitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)propionitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 3-(Benzylamino)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)propionitrile 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-(Benzylamino)propionitrile?
The CAS number of 3-(Benzylamino)propionitrile is 706-03-6.
What is the molecular formula of 3-(Benzylamino)propionitrile?
The molecular formula of 3-(Benzylamino)propionitrile is C10H12N2.
What is the molecular weight of 3-(Benzylamino)propionitrile?
The molecular weight of 3-(Benzylamino)propionitrile is 160.10 g/mol.
Where can I buy 3-(Benzylamino)propionitrile?
You can request a quote for 3-(Benzylamino)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.