4-苄基-1,4-二氮杂环庚烷-1-胺
TL;DR: 4-苄基-1,4-二氮杂环庚烷-1-胺 (CAS 86996-65-8) is a chemical compound with molecular formula C12H19N3 and molecular weight 205.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苄基-1,4-二氮杂环庚烷-1-胺
4-benzyl-1,4-diazepan-1-amine
Also Known As: 4-benzyl-1,4-diazepan-1-amine, Diphensaeure-diaethylamid, 1H-1,4-Diazepin-1-amine,hexahydro-4-(phenylmethyl)-
| Molecular Formula | C12H19N3 |
|---|---|
| Molecular Weight | 205.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.1579 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 86996-65-8 |
|---|---|
| SMILES | C1CN(CCN(C1)N)CC2=CC=CC=C2 |
| InChIKey | GHKWIACKPFWDCZ-UHFFFAOYSA-N |
Product Overview
4-苄基-1,4-二氮杂环庚烷-1-胺 (CAS 86996-65-8), with molecular formula C12H19N3 and molecular weight 205.16 g/mol. IUPAC: 4-benzyl-1,4-diazepan-1-amine.
Chemical Property Profile of 4-苄基-1,4-二氮杂环庚烷-1-胺
Property Insights of 4-苄基-1,4-二氮杂环庚烷-1-胺
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苄基-1,4-二氮杂环庚烷-1-胺. With a topological polar surface area (TPSA) of 32.5 Ų, 4-苄基-1,4-二氮杂环庚烷-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苄基-1,4-二氮杂环庚烷-1-胺 has 1 hydrogen bond donor(s) and 3 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-苄基-1,4-二氮杂环庚烷-1-胺?
The CAS number of 4-苄基-1,4-二氮杂环庚烷-1-胺 is 86996-65-8.
What is the molecular formula of 4-苄基-1,4-二氮杂环庚烷-1-胺?
The molecular formula of 4-苄基-1,4-二氮杂环庚烷-1-胺 is C12H19N3.
What is the molecular weight of 4-苄基-1,4-二氮杂环庚烷-1-胺?
The molecular weight of 4-苄基-1,4-二氮杂环庚烷-1-胺 is 205.16 g/mol.
Where can I buy 4-苄基-1,4-二氮杂环庚烷-1-胺?
You can request a quote for 4-苄基-1,4-二氮杂环庚烷-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苄基-1,4-二氮杂环庚烷-1-胺?
Yes, KEHONG BIO provides custom synthesis services for 4-苄基-1,4-二氮杂环庚烷-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.