2-异丙氨基-4-甲基苯甲腈
TL;DR: 2-异丙氨基-4-甲基苯甲腈 (CAS 28195-00-8) 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.
2-异丙氨基-4-甲基苯甲腈
4-methyl-2-(propan-2-ylamino)benzonitrile
Also Known As: 2-Isopropylamino-4-methylbenzonitrile, 2-(Isopropylamino)-4-methylbenzonitrile, 4-methyl-2-(propan-2-ylamino)benzonitrile, 4-methyl-2-[(propan-2-yl)amino]benzonitrile, 4-Methyl-2-[(1-methylethyl)amino]benzonitrile
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 28195-00-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C#N)NC(C)C |
| InChIKey | HVKRBGJBJXDAGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-异丙氨基-4-甲基苯甲腈 (CAS 28195-00-8), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 4-methyl-2-(propan-2-ylamino)benzonitrile.
Chemical Property Profile of 2-异丙氨基-4-甲基苯甲腈
Property Insights of 2-异丙氨基-4-甲基苯甲腈
The XLogP value of 3.3 indicates that 2-异丙氨基-4-甲基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 2-异丙氨基-4-甲基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-异丙氨基-4-甲基苯甲腈 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 2-异丙氨基-4-甲基苯甲腈?
The CAS number of 2-异丙氨基-4-甲基苯甲腈 is 28195-00-8.
What is the molecular formula of 2-异丙氨基-4-甲基苯甲腈?
The molecular formula of 2-异丙氨基-4-甲基苯甲腈 is C11H14N2.
What is the molecular weight of 2-异丙氨基-4-甲基苯甲腈?
The molecular weight of 2-异丙氨基-4-甲基苯甲腈 is 174.12 g/mol.
Where can I buy 2-异丙氨基-4-甲基苯甲腈?
You can request a quote for 2-异丙氨基-4-甲基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-异丙氨基-4-甲基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-异丙氨基-4-甲基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.