1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate
TL;DR: 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate (CAS 1029649-48-6) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(2-isocyanophenyl)carbamate
Also Known As: 2-ISOCYANO-N-BOC-ANILINE, ortho-N-Boc-phenylisonitrile, Tert-butyl N-(2-isocyanophenyl)carbamate, 2-(N-boc-amino)-phenyl-isocyanide, 2-(N-Boc-amino)phenylisocyanide
Technical Specifications
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC=C1[N+]#[C-] |
| InChIKey | MVRGMAILZSXBEN-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate
Property Insights of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate. With a topological polar surface area (TPSA) of 42.7 Ų, 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate?
The CAS number of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate is 1029649-48-6.
What is the molecular formula of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate?
The molecular formula of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate is C12H14N2O2.
What is the molecular weight of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate?
The molecular weight of 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate is 218.10553 g/mol.
Where can I buy 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate?
You can request a quote for 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate?
Yes, CoreyChem provides custom synthesis services for 1,1-Dimethylethyl N-(2-isocyanophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.