RefChem:1085313
TL;DR: RefChem:1085313 (CAS 55-71-0) is a chemical compound with molecular formula C12H20N2 and molecular weight 192.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,2-N-dimethyl-1-N-phenylbutane-1,2-diamine
Also Known As: FC 479, N',N'-Dimethyl-N-phenyl-1,2-butanediamine, n2,n2-dimethyl-n1-phenylbutane-1,2-diamine, N,N-Dimethyl-alpha-ethyl-N'-phenylethylenediamine, 1,2-Butanediamine, N',N'-dimethyl-N-phenyl-
| Molecular Formula | C12H20N2 |
|---|---|
| Molecular Weight | 192.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.16264 |
| Heavy Atoms | 14 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 55-71-0 |
|---|---|
| SMILES | CCC(CNC1=CC=CC=C1)N(C)C |
| InChIKey | ZQTNRWYXJMXPAD-UHFFFAOYSA-N |
Product Overview
RefChem:1085313 (CAS 55-71-0), with molecular formula C12H20N2 and molecular weight 192.16 g/mol. IUPAC: 2-N,2-N-dimethyl-1-N-phenylbutane-1,2-diamine.
Chemical Property Profile of RefChem:1085313
Property Insights of RefChem:1085313
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1085313. With a topological polar surface area (TPSA) of 15.3 Ų, RefChem:1085313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1085313 has 1 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 RefChem:1085313?
The CAS number of RefChem:1085313 is 55-71-0.
What is the molecular formula of RefChem:1085313?
The molecular formula of RefChem:1085313 is C12H20N2.
What is the molecular weight of RefChem:1085313?
The molecular weight of RefChem:1085313 is 192.16 g/mol.
Where can I buy RefChem:1085313?
You can request a quote for RefChem:1085313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085313?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.