Tamoxifen nitrosocarbamate

Base Information

• Chemical Name: Tamoxifen nitrosocarbamate
• CAS No.: 104691-77-2
• Molecular Formula: C27H27 Cl N2 O4
• Molecular Weight: 0
• Mol file: 104691-77-2.mol

Synonyms:N-(2-chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate;N-nitroso-DBPE-carbamate;tamoxifen nitrosocarbamate

Chemical Property of Tamoxifen nitrosocarbamate

Chemical Property:

• Vapor Pressure: 1.65E-13mmHg at 25°C
• Boiling Point: 581.4°C at 760 mmHg
• Flash Point: 305.4°C
• PSA: 68.20000
• Density: 1.16g/cm³
• LogP: 6.79330
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 478.1659350
• Heavy Atom Count: 34
• Complexity: 651

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCOC(=O)N(CCCl)N=O)C3=CC=CC=C3
• Isomeric SMILES: CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCOC(=O)N(CCCl)N=O)/C3=CC=CC=C3