4-N-butan-2-ylbenzene-1,4-diamine
TL;DR: 4-N-butan-2-ylbenzene-1,4-diamine (CAS 10029-30-8) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-butan-2-ylbenzene-1,4-diamine
Also Known As: 4-N-butan-2-ylbenzene-1,4-diamine, 4-Amino-N-sec-butylaniline, 1, N-(1-methylpropyl)-, N-s-butyl-p-phenylenediamine, N-sec-Butyl-p-phenylendiamin
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 10029-30-8 |
|---|---|
| SMILES | CCC(C)NC1=CC=C(C=C1)N |
| InChIKey | CMBRHCVQODXRRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-N-butan-2-ylbenzene-1,4-diamine (CAS 10029-30-8), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 4-N-butan-2-ylbenzene-1,4-diamine.
Chemical Property Profile of 4-N-butan-2-ylbenzene-1,4-diamine
Property Insights of 4-N-butan-2-ylbenzene-1,4-diamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-butan-2-ylbenzene-1,4-diamine. With a topological polar surface area (TPSA) of 38.1 Ų, 4-N-butan-2-ylbenzene-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-N-butan-2-ylbenzene-1,4-diamine has 2 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 4-N-butan-2-ylbenzene-1,4-diamine?
The CAS number of 4-N-butan-2-ylbenzene-1,4-diamine is 10029-30-8.
What is the molecular formula of 4-N-butan-2-ylbenzene-1,4-diamine?
The molecular formula of 4-N-butan-2-ylbenzene-1,4-diamine is C10H16N2.
What is the molecular weight of 4-N-butan-2-ylbenzene-1,4-diamine?
The molecular weight of 4-N-butan-2-ylbenzene-1,4-diamine is 164.13 g/mol.
Where can I buy 4-N-butan-2-ylbenzene-1,4-diamine?
You can request a quote for 4-N-butan-2-ylbenzene-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-butan-2-ylbenzene-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-butan-2-ylbenzene-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.