5-Isoquinolinamine, 3-(butoxymethyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-, (E)-2-butenedioate

Base Information

• Chemical Name: 5-Isoquinolinamine, 3-(butoxymethyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-, (E)-2-butenedioate
• CAS No.: 77195-29-0
• Molecular Formula: C30H33N3O5S
• Molecular Weight: 547.6651

Synonyms:5-Isoquinolinamine, 3-(butoxymethyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-, (E)-2-butenedioate;77195-29-0;C26H29N3OS.C4H4O4;LS-85328;C26-H29-N3-O-S.C4-H4-O4

Chemical Property of 5-Isoquinolinamine, 3-(butoxymethyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-, (E)-2-butenedioate

Chemical Property:

• Vapor Pressure: 1.97E-14mmHg at 25°C
• Boiling Point: 601.6°C at 760 mmHg
• Flash Point: 317.7°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 547.21409234
• Heavy Atom Count: 39
• Complexity: 732

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4CC5=CC=CC=C5CC4CCS3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4CC5=CC=CC=C5CC4CCS3.C(=C/C(=O)O)\C(=O)O

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