1,2-Butanediamine, N,N-dimethyl-N'-phenyl-
TL;DR: 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- (CAS 713-83-7) 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.
1-N,1-N-dimethyl-2-N-phenylbutane-1,2-diamine
Also Known As: N,N-Dimethyl-N'-phenyl-1,2-butanediamine, 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-, N,N-Dimethyl-beta-ethyl-N'-phenylethylenediamine, n1,n1-dimethyl-n2-phenylbutane-1,2-diamine, 1-N,1-N-dimethyl-2-N-phenylbutane-1,2-diamine
| 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 | 713-83-7 |
|---|---|
| SMILES | CCC(CN(C)C)NC1=CC=CC=C1 |
| InChIKey | OTAYHFSMXRHJLB-UHFFFAOYSA-N |
Product Overview
1,2-Butanediamine, N,N-dimethyl-N'-phenyl- (CAS 713-83-7), with molecular formula C12H20N2 and molecular weight 192.16 g/mol. IUPAC: 1-N,1-N-dimethyl-2-N-phenylbutane-1,2-diamine.
Chemical Property Profile of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-
Property Insights of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-. With a topological polar surface area (TPSA) of 15.3 Ų, 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- 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 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-?
The CAS number of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- is 713-83-7.
What is the molecular formula of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-?
The molecular formula of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- is C12H20N2.
What is the molecular weight of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-?
The molecular weight of 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- is 192.16 g/mol.
Where can I buy 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-?
You can request a quote for 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Butanediamine, N,N-dimethyl-N'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Butanediamine, N,N-dimethyl-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.