4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)
TL;DR: 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) (CAS 13064-22-7) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hepta-1,6-dien-4-ylphenyl)azanium chloride
Also Known As: Diallyl-p-aminophenylmethane hydrochloride, p-(1-Allyl-3-butenyl)aniline hydrochloride, ANILINE, p-(1-ALLYL-3-BUTENYL)-, HYDROCHLORIDE, (4-hepta-1,6-dien-4-ylphenyl)azanium chloride, 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 13064-22-7 |
|---|---|
| SMILES | C=CCC(CC=C)C1=CC=C(C=C1)[NH3+].[Cl-] |
| InChIKey | IGTDNZCVWJEYPV-UHFFFAOYSA-N |
Product Overview
4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) (CAS 13064-22-7), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: (4-hepta-1,6-dien-4-ylphenyl)azanium chloride.
Chemical Property Profile of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)
Property Insights of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)
The XLogP value of -0.2 indicates that 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.6 Ų, 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) has 1 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 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)?
The CAS number of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) is 13064-22-7.
What is the molecular formula of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)?
The molecular formula of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) is C13H18ClN.
What is the molecular weight of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)?
The molecular weight of 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) is 223.11 g/mol.
Where can I buy 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)?
You can request a quote for 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hepta-1,6-dien-4-yl)aniline--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.