4-Phenoxybutan-1-amine--hydrogen chloride (1/1)
TL;DR: 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) (CAS 64037-61-2) is a chemical compound with molecular formula C10H16ClNO and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenoxybutan-1-amine;hydrochloride
Also Known As: 4-phenoxybutan-1-amine hydrochloride, (4-aminobutoxy)benzene hydrochloride, 4-Phenoxy-N-butylamine hydrochloride, 4-phenoxybutan-1-amine;hydrochloride, 1-Butanamine, 4-phenoxy-, hydrochloride
| Molecular Formula | C10H16ClNO |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 2.23 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.09204 |
| Heavy Atoms | 13 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 64037-61-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCN.Cl |
| InChIKey | QUHMFAWCLDOBRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenoxybutan-1-amine--hydrogen chloride (1/1) (CAS 64037-61-2), with molecular formula C10H16ClNO and molecular weight 201.09 g/mol. IUPAC: 4-phenoxybutan-1-amine;hydrochloride.
Chemical Property Profile of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1)
Property Insights of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1)
The XLogP value of 2.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenoxybutan-1-amine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 35.3 Ų, 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) 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-Phenoxybutan-1-amine--hydrogen chloride (1/1)?
The CAS number of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) is 64037-61-2.
What is the molecular formula of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1)?
The molecular formula of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) is C10H16ClNO.
What is the molecular weight of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1)?
The molecular weight of 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) is 201.09 g/mol.
Where can I buy 4-Phenoxybutan-1-amine--hydrogen chloride (1/1)?
You can request a quote for 4-Phenoxybutan-1-amine--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-Phenoxybutan-1-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenoxybutan-1-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.