N,N-双(2-氯乙基)-2,6-二甲基苯胺
TL;DR: N,N-双(2-氯乙基)-2,6-二甲基苯胺 (CAS 30389-86-7) is a chemical compound with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-双(2-氯乙基)-2,6-二甲基苯胺
2-chloro-N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]ethanamine
Also Known As: m-Methyl-dcba, 1,3-Xylyl-di-(2-chloroethyl)amine, NCIOpen2_002918, N,N-Bis(2-chloroethyl)-m-methylbenzylamine, m-Methyl-di-(2-chloroethyl)-benzylamine
| Molecular Formula | C12H17Cl2N |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.0738 |
| Heavy Atoms | 15 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 30389-86-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN(CCCl)CCCl |
| InChIKey | VCTFEDTUWMGTOA-UHFFFAOYSA-N |
Product Overview
N,N-双(2-氯乙基)-2,6-二甲基苯胺 (CAS 30389-86-7), with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]ethanamine.
Chemical Property Profile of N,N-双(2-氯乙基)-2,6-二甲基苯胺
Property Insights of N,N-双(2-氯乙基)-2,6-二甲基苯胺
The XLogP value of 3.3 indicates that 1,3-二甲苯基双(2-氯乙基)胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-双(2-氯乙基)-2,6-二甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二甲苯基双(2-氯乙基)胺 has 0 hydrogen bond donor(s) and 1 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 1,3-二甲苯基双(2-氯乙基)胺?
The CAS number of 1,3-二甲苯基双(2-氯乙基)胺 is 30389-86-7.
What is the molecular formula of 1,3-二甲苯基双(2-氯乙基)胺?
The molecular formula of 1,3-二甲苯基双(2-氯乙基)胺 is C12H17Cl2N.
What is the molecular weight of 1,3-二甲苯基双(2-氯乙基)胺?
The molecular weight of 1,3-二甲苯基双(2-氯乙基)胺 is 245.07 g/mol.
Where can I buy 1,3-二甲苯基双(2-氯乙基)胺?
You can request a quote for 1,3-二甲苯基双(2-氯乙基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二甲苯基双(2-氯乙基)胺?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二甲苯基双(2-氯乙基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.