GNRH (1-9)nonapeptide ethylamide, penicillamine-(tert-butyl)(6)-

Base Information

• Chemical Name: GNRH (1-9)nonapeptide ethylamide, penicillamine-(tert-butyl)(6)-
• CAS No.: 61012-20-2
• Molecular Formula: C62H90N16O12S
• Molecular Weight: 1283.543
• European Community (EC) Number: 262-558-3
• DSSTox Substance ID: DTXSID20209891
• Mol file: 61012-20-2.mol

Synonyms:D-penicillamine-(t-butyl)(6)-GnRH(1-9)nonapeptide ethylamide;GnRH (1-9)nonapeptide ethylamide, penicillamine-(tert-butyl)(6)-;PCA(tBu)-EA-GnRH

Chemical Property of GNRH (1-9)nonapeptide ethylamide, penicillamine-(tert-butyl)(6)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 9.82±0.15(Predicted)
• Flash Point: °C
• Density: 1.41g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 33
• Exact Mass: 1282.66448354
• Heavy Atom Count: 91
• Complexity: 2540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)(C)SC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
• Isomeric SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)(C)SC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

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