Tamoxifen nitrosourea

Base Information

• Chemical Name: Tamoxifen nitrosourea
• CAS No.: 104691-78-3
• Molecular Formula: C27H28 Cl N3 O3
• Molecular Weight: 0
• Mol file: 104691-78-3.mol

Synonyms:N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea;N-chloroethyl-DBPE-nitrosourea;tamoxifen nitrosourea

Chemical Property of Tamoxifen nitrosourea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 74.49000
• Density: 1.16g/cm³
• LogP: 6.57070
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 477.1819195
• Heavy Atom Count: 34
• Complexity: 652

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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