5,N'-二甲基组胺
TL;DR: 5,N'-二甲基组胺 (CAS 53966-46-4) is a chemical compound with molecular formula C7H13N3 and molecular weight 139.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,N'-二甲基组胺
N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine
Also Known As: 5,N'-Dimethylhistamine, N'(Me),5(Me)Histamine, 4,N'-Dimethylhistamin, 5-Methyl-N-methylhistamine, 1H-Imidazole-4-ethanamine, N,5-dimethyl-
| Molecular Formula | C7H13N3 |
|---|---|
| Molecular Weight | 139.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.11095 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 53966-46-4 |
|---|---|
| SMILES | CC1=C(N=CN1)CCNC |
| InChIKey | RLRXYCOJGGRMQS-UHFFFAOYSA-N |
Product Overview
5,N'-二甲基组胺 (CAS 53966-46-4), with molecular formula C7H13N3 and molecular weight 139.11 g/mol. IUPAC: N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine.
Chemical Property Profile of 5,N'-二甲基组胺
Property Insights of 5,N'-二甲基组胺
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,N'-二甲基组胺. With a topological polar surface area (TPSA) of 40.7 Ų, 5,N'-二甲基组胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,N'-二甲基组胺 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 5,N'-二甲基组胺?
The CAS number of 5,N'-二甲基组胺 is 53966-46-4.
What is the molecular formula of 5,N'-二甲基组胺?
The molecular formula of 5,N'-二甲基组胺 is C7H13N3.
What is the molecular weight of 5,N'-二甲基组胺?
The molecular weight of 5,N'-二甲基组胺 is 139.11 g/mol.
Where can I buy 5,N'-二甲基组胺?
You can request a quote for 5,N'-二甲基组胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,N'-二甲基组胺?
Yes, KEHONG BIO provides custom synthesis services for 5,N'-二甲基组胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.