3,3-Dimethyl-4-methylamino-butan-2-one
TL;DR: 3,3-Dimethyl-4-methylamino-butan-2-one (CAS 123528-99-4) is a chemical compound with molecular formula C7H15NO and molecular weight 129.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-4-(methylamino)butan-2-one
Also Known As: 3,3-dimethyl-4-(methylamino)butan-2-one, 3,3-Dimethyl-4-methylamino-butan-2-one, 2-Butanone, 3,3-dimethyl-4-(methylamino)- (9CI), 3,3-Dimethyl-4-(methylamino)-2-butanone #, 2-BUTANONE, 3,3-DIMETHYL-4-(METHYLAMINO)-
| Molecular Formula | C7H15NO |
|---|---|
| Molecular Weight | 129.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.11537 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 123528-99-4 |
|---|---|
| SMILES | CC(=O)C(C)(C)CNC |
| InChIKey | QPKSAEVZZQMSER-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-4-methylamino-butan-2-one (CAS 123528-99-4), with molecular formula C7H15NO and molecular weight 129.12 g/mol. IUPAC: 3,3-dimethyl-4-(methylamino)butan-2-one.
Chemical Property Profile of 3,3-Dimethyl-4-methylamino-butan-2-one
Property Insights of 3,3-Dimethyl-4-methylamino-butan-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-4-methylamino-butan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dimethyl-4-methylamino-butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-4-methylamino-butan-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 3,3-Dimethyl-4-methylamino-butan-2-one?
The CAS number of 3,3-Dimethyl-4-methylamino-butan-2-one is 123528-99-4.
What is the molecular formula of 3,3-Dimethyl-4-methylamino-butan-2-one?
The molecular formula of 3,3-Dimethyl-4-methylamino-butan-2-one is C7H15NO.
What is the molecular weight of 3,3-Dimethyl-4-methylamino-butan-2-one?
The molecular weight of 3,3-Dimethyl-4-methylamino-butan-2-one is 129.12 g/mol.
Where can I buy 3,3-Dimethyl-4-methylamino-butan-2-one?
You can request a quote for 3,3-Dimethyl-4-methylamino-butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-4-methylamino-butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-4-methylamino-butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.