1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide
TL;DR: 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide (CAS 73941-89-6) is a chemical compound with molecular formula C11H16N4O and molecular weight 220.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-amine
Also Known As: 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide, 1H-Benzotriazole-1-propanamine,N,N-dimethyl-,3-oxide, 1H-Benzotriazole-1-propanamine,N,N-dimethyl-, 3-oxide, N,N-dimethyl-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-amine, N,N-Dimethyl-3-(1-oxo-3H-1lambda~5~,2,3-benzotriazol-3-yl)propan-1-amine
| Molecular Formula | C11H16N4O |
|---|---|
| Molecular Weight | 220.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.13242 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 73941-89-6 |
|---|---|
| SMILES | CN(C)CCCN1C2=CC=CC=C2[N+](=N1)[O-] |
| InChIKey | ODQNTDGDOGMTCW-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide (CAS 73941-89-6), with molecular formula C11H16N4O and molecular weight 220.13 g/mol. IUPAC: N,N-dimethyl-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-amine.
Chemical Property Profile of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide
Property Insights of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide. With a topological polar surface area (TPSA) of 46.5 Ų, 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide has 0 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 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide?
The CAS number of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide is 73941-89-6.
What is the molecular formula of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide?
The molecular formula of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide is C11H16N4O.
What is the molecular weight of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide?
The molecular weight of 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide is 220.13 g/mol.
Where can I buy 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide?
You can request a quote for 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole-1-propanamine, N,N-dimethyl-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.