N-苄基-N-(2-氯乙基)丙-2-胺
TL;DR: N-苄基-N-(2-氯乙基)丙-2-胺 (CAS 40737-53-9) is a chemical compound with molecular formula C12H18ClN and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-N-(2-氯乙基)丙-2-胺
N-benzyl-N-(2-chloroethyl)propan-2-amine
Also Known As: N-benzyl-N-(2-chloroethyl)propan-2-amine, 2-(N-isopropylbenzylamino)ethyl chloride, Benzenemethanamine, N-(2-chloroethyl)-N-(1-methylethyl)-
| Molecular Formula | C12H18ClN |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.11278 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 40737-53-9 |
|---|---|
| SMILES | CC(C)N(CCCl)CC1=CC=CC=C1 |
| InChIKey | LGPKPGHKHGLXKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基-N-(2-氯乙基)丙-2-胺 (CAS 40737-53-9), with molecular formula C12H18ClN and molecular weight 211.11 g/mol. IUPAC: N-benzyl-N-(2-chloroethyl)propan-2-amine.
Chemical Property Profile of N-苄基-N-(2-氯乙基)丙-2-胺
Property Insights of N-苄基-N-(2-氯乙基)丙-2-胺
The XLogP value of 3.1 indicates that N-苄基-N-(2-氯乙基)丙-2-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-苄基-N-(2-氯乙基)丙-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苄基-N-(2-氯乙基)丙-2-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 N-苄基-N-(2-氯乙基)丙-2-胺?
The CAS number of N-苄基-N-(2-氯乙基)丙-2-胺 is 40737-53-9.
What is the molecular formula of N-苄基-N-(2-氯乙基)丙-2-胺?
The molecular formula of N-苄基-N-(2-氯乙基)丙-2-胺 is C12H18ClN.
What is the molecular weight of N-苄基-N-(2-氯乙基)丙-2-胺?
The molecular weight of N-苄基-N-(2-氯乙基)丙-2-胺 is 211.11 g/mol.
Where can I buy N-苄基-N-(2-氯乙基)丙-2-胺?
You can request a quote for N-苄基-N-(2-氯乙基)丙-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄基-N-(2-氯乙基)丙-2-胺?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-N-(2-氯乙基)丙-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.