![Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- structure](/static/products/599/59970-77-3.png)
Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-
TL;DR: Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- (CAS 59970-77-3) 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-(benzylamino)-2-methylpropanenitrile
Also Known As: 3-(benzylamino)-2-methylpropanenitrile, 3-benzylamino-2-methylpropanenitrile, 3-(benzylamino)-2-methyl-propanenitrile, Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 1.93588 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 273.89178 |
Chemical Identifiers
| CAS Number | 59970-77-3 |
|---|---|
| SMILES | CC(CNCC1=CC=CC=C1)C#N |
Product Overview
Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- (CAS 59970-77-3), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 3-(benzylamino)-2-methylpropanenitrile.
Chemical Property Profile of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-
Property Insights of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-
The XLogP value of 1.93588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-. With a topological polar surface area (TPSA) of 35.82 Ų, Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- 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 Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-?
The CAS number of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- is 59970-77-3.
What is the molecular formula of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-?
The molecular formula of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- is C11H14N2.
What is the molecular weight of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-?
The molecular weight of Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- is 174.12 g/mol.
Where can I buy Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-?
You can request a quote for Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 2-methyl-3-[(phenylmethyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.