Acetic acid, (isopropylnitrosoamino)methyl ester
TL;DR: Acetic acid, (isopropylnitrosoamino)methyl ester (CAS 70715-91-2) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[nitroso(propan-2-yl)amino]methyl acetate
Also Known As: [nitroso(propan-2-yl)amino]methyl acetate|N-Isopropyl-N-(acetoxymethyl)nitrosamine|N-iso-Propyl-N-(acetoxymethyl)nitrosamine|ACETIC ACID, (ISOPROPYLNITROSOAMINO)METHYL ESTER|Methanol, ((1-methylethyl)nitrosoamino)-, acetate (ester)|ACETIC ACID (ISOPROPYLNITROSOAMINO)METHYL ESTER|Methanol, [(1-methylethyl)nitrosoamino]-acetate (ester)|BRN 2244924
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 70715-91-2 |
|---|---|
| SMILES | CC(C)N(COC(=O)C)N=O |
| InChIKey | AYYKWRQRJMXEHP-UHFFFAOYSA-N |
Product Overview
Acetic acid, (isopropylnitrosoamino)methyl ester (CAS 70715-91-2), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: [nitroso(propan-2-yl)amino]methyl acetate.
Chemical Property Profile of Acetic acid, (isopropylnitrosoamino)methyl ester
Property Insights of Acetic acid, (isopropylnitrosoamino)methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (isopropylnitrosoamino)methyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Acetic acid, (isopropylnitrosoamino)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (isopropylnitrosoamino)methyl ester has 0 hydrogen bond donor(s) and 5 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 Acetic acid, (isopropylnitrosoamino)methyl ester?
The CAS number of Acetic acid, (isopropylnitrosoamino)methyl ester is 70715-91-2.
What is the molecular formula of Acetic acid, (isopropylnitrosoamino)methyl ester?
The molecular formula of Acetic acid, (isopropylnitrosoamino)methyl ester is C6H12N2O3.
What is the molecular weight of Acetic acid, (isopropylnitrosoamino)methyl ester?
The molecular weight of Acetic acid, (isopropylnitrosoamino)methyl ester is 160.08 g/mol.
Where can I buy Acetic acid, (isopropylnitrosoamino)methyl ester?
You can request a quote for Acetic acid, (isopropylnitrosoamino)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (isopropylnitrosoamino)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (isopropylnitrosoamino)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.