Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride
TL;DR: Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride (CAS 13064-19-2) is a chemical compound with molecular formula C14H20ClNO and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol;hydrochloride
Also Known As: beta-(p-Hydroxyphenyldiallyl)ethylamine hydrochloride, Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride, p-(1-Allyl-1-(aminomethyl)-3-butenyl)phenol hydrochloride, 4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol hydrochloride, 4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol,hydrochloride
| Molecular Formula | C14H20ClNO |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 3.1627 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.12334 |
| Heavy Atoms | 17 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 13064-19-2 |
|---|---|
| SMILES | C=CCC(CC=C)(CN)C1=CC=C(C=C1)O.Cl |
| InChIKey | ISFYCAIRRIVIHY-UHFFFAOYSA-N |
Product Overview
Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride (CAS 13064-19-2), with molecular formula C14H20ClNO and molecular weight 253.12 g/mol. IUPAC: 4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol;hydrochloride.
Chemical Property Profile of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride
Property Insights of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride
The XLogP value of 3.1627 indicates that Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride has 3 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 Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride?
The CAS number of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride is 13064-19-2.
What is the molecular formula of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride?
The molecular formula of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride is C14H20ClNO.
What is the molecular weight of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride?
The molecular weight of Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride is 253.12 g/mol.
Where can I buy Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride?
You can request a quote for Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(1-allyl-1-(aminomethyl)-3-butenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.