![2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- structure](/static/products/7645/76450-91-4.webp)
2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
TL;DR: 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- (CAS 76450-91-4) is a chemical compound with molecular formula C14H24N2O and molecular weight 236.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[benzyl(butyl)amino]propan-2-ol
Also Known As: 1-amino-3-[benzyl(butyl)amino]propan-2-ol, 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-, 1-amino-3-(benzyl-butyl-amino)propan-2-ol, 6-acetyl-7-hydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one
| Molecular Formula | C14H24N2O |
|---|---|
| Molecular Weight | 236.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.18886 |
| Heavy Atoms | 17 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 76450-91-4 |
|---|---|
| SMILES | CCCCN(CC1=CC=CC=C1)CC(CN)O |
| InChIKey | BSDRQPMIUNUCHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- (CAS 76450-91-4), with molecular formula C14H24N2O and molecular weight 236.19 g/mol. IUPAC: 1-amino-3-[benzyl(butyl)amino]propan-2-ol.
Chemical Property Profile of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
Property Insights of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-. With a topological polar surface area (TPSA) of 49.5 Ų, 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- has 2 hydrogen bond donor(s) and 3 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 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-?
The CAS number of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- is 76450-91-4.
What is the molecular formula of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-?
The molecular formula of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- is C14H24N2O.
What is the molecular weight of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-?
The molecular weight of 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- is 236.19 g/mol.
Where can I buy 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-?
You can request a quote for 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.