1-Amino-3,3-dimethylbutan-2-one
TL;DR: 1-Amino-3,3-dimethylbutan-2-one (CAS 82962-91-2) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3,3-dimethylbutan-2-one
Also Known As: 1-amino-3,3-dimethylbutan-2-one, 1-AMINO-3,3-DIMETHYL-BUTAN-2-ONE, 1-Amino-3,3-dimethyl-2-butanone, amino dimethyl butanone, rarechem al bw 2391
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 82962-91-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN |
| InChIKey | CRTRUQUJSMFWPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-3,3-dimethylbutan-2-one (CAS 82962-91-2), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: 1-amino-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-Amino-3,3-dimethylbutan-2-one
Property Insights of 1-Amino-3,3-dimethylbutan-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-3,3-dimethylbutan-2-one. With a topological polar surface area (TPSA) of 43.1 Ų, 1-Amino-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-3,3-dimethylbutan-2-one has 1 hydrogen bond donor(s) and 2 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-Amino-3,3-dimethylbutan-2-one?
The CAS number of 1-Amino-3,3-dimethylbutan-2-one is 82962-91-2.
What is the molecular formula of 1-Amino-3,3-dimethylbutan-2-one?
The molecular formula of 1-Amino-3,3-dimethylbutan-2-one is C6H13NO.
What is the molecular weight of 1-Amino-3,3-dimethylbutan-2-one?
The molecular weight of 1-Amino-3,3-dimethylbutan-2-one is 115.10 g/mol.
Where can I buy 1-Amino-3,3-dimethylbutan-2-one?
You can request a quote for 1-Amino-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.