3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol
TL;DR: 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol (CAS 113511-45-8) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
Also Known As: 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol, 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol, 3-amino-3-(benzo[d][1,3]dioxol-5-yl)propan-1-ol, RARECHEM AK ML 0253, AA263
Technical Specifications
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.08954 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 Da |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CCO)N |
| InChIKey | LRXZDIRVMLNWST-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol
Property Insights of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol. Following Lipinski's Rule of Five, 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol?
The CAS number of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol is 113511-45-8.
What is the molecular formula of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol?
The molecular formula of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol is C10H13NO3.
What is the molecular weight of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol?
The molecular weight of 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol is 195.08954 g/mol.
Where can I buy 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol?
You can request a quote for 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol?
Yes, CoreyChem provides custom synthesis services for 3-Amino-3-(1,3-benzodioxol-5-yl)-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.