N-(1-methyl-3,3-diphenylpropyl)isocyanate
TL;DR: N-(1-methyl-3,3-diphenylpropyl)isocyanate (CAS 132195-06-3) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-isocyanato-1-phenylbutyl)benzene
Also Known As: NMDPI, N- isocyanate, (3-isocyanato-1-phenylbutyl)benzene, N-(1-Methyl-3,3-diphenylpropyl)isocyanate, 1,1'-(3-Isocyanatobutane-1,1-diyl)dibenzene
Technical Specifications
| Molecular Formula | C17H17NO |
| Molecular Weight | 251.13101 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.13101 Da |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
| SMILES | CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)N=C=O |
| InChIKey | WGECOIGIJGJVHO-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-methyl-3,3-diphenylpropyl)isocyanate
Property Insights of N-(1-methyl-3,3-diphenylpropyl)isocyanate
The XLogP value of 5.2 indicates that N-(1-methyl-3,3-diphenylpropyl)isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, N-(1-methyl-3,3-diphenylpropyl)isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-methyl-3,3-diphenylpropyl)isocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(1-methyl-3,3-diphenylpropyl)isocyanate?
The CAS number of N-(1-methyl-3,3-diphenylpropyl)isocyanate is 132195-06-3.
What is the molecular formula of N-(1-methyl-3,3-diphenylpropyl)isocyanate?
The molecular formula of N-(1-methyl-3,3-diphenylpropyl)isocyanate is C17H17NO.
What is the molecular weight of N-(1-methyl-3,3-diphenylpropyl)isocyanate?
The molecular weight of N-(1-methyl-3,3-diphenylpropyl)isocyanate is 251.13101 g/mol.
Where can I buy N-(1-methyl-3,3-diphenylpropyl)isocyanate?
You can request a quote for N-(1-methyl-3,3-diphenylpropyl)isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-methyl-3,3-diphenylpropyl)isocyanate?
Yes, CoreyChem provides custom synthesis services for N-(1-methyl-3,3-diphenylpropyl)isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.