alpha-Amino-d2-toluene
TL;DR: alpha-Amino-d2-toluene (CAS 45579-94-0) is a chemical compound with molecular formula C7H9N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dideuterio-1-phenylmethanamine
Also Known As: alpha-Amino-d2-toluene, d2-benzylamine, Benzenemethanamine, Benzenemethanamine-d2, 1-Phenylmethan(~2~H_2_)amine
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.08605 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 45579-94-0 |
|---|---|
| SMILES | [2H]N([2H])CC1=CC=CC=C1 |
| InChIKey | WGQKYBSKWIADBV-ZSJDYOACSA-N |
Product Overview
alpha-Amino-d2-toluene (CAS 45579-94-0), with molecular formula C7H9N and molecular weight 109.09 g/mol. IUPAC: N,N-dideuterio-1-phenylmethanamine.
Chemical Property Profile of alpha-Amino-d2-toluene
Property Insights of alpha-Amino-d2-toluene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Amino-d2-toluene. With a topological polar surface area (TPSA) of 26.0 Ų, alpha-Amino-d2-toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Amino-d2-toluene has 1 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 alpha-Amino-d2-toluene?
The CAS number of alpha-Amino-d2-toluene is 45579-94-0.
What is the molecular formula of alpha-Amino-d2-toluene?
The molecular formula of alpha-Amino-d2-toluene is C7H9N.
What is the molecular weight of alpha-Amino-d2-toluene?
The molecular weight of alpha-Amino-d2-toluene is 109.09 g/mol.
Where can I buy alpha-Amino-d2-toluene?
You can request a quote for alpha-Amino-d2-toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amino-d2-toluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amino-d2-toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.