1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-
TL;DR: 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- (CAS 78103-84-1) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbonitrile
Also Known As: 1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile, 4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile, 1,1-dimethyl-4-cyano-tetralin, 4,4-Dimethyltetralin-1-carbonitrile, 4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbonitrile
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 78103-84-1 |
|---|---|
| SMILES | CC1(CCC(C2=CC=CC=C21)C#N)C |
| InChIKey | KVCDGRBBCSUPPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- (CAS 78103-84-1), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbonitrile.
Chemical Property Profile of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-
Property Insights of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-
The XLogP value of 3.4 indicates that 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- has 0 hydrogen bond donor(s) and 1 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-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-?
The CAS number of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- is 78103-84-1.
What is the molecular formula of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-?
The molecular formula of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- is C13H15N.
What is the molecular weight of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-?
The molecular weight of 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- is 185.12 g/mol.
Where can I buy 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-?
You can request a quote for 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.