1-(Boc-amino)-2,3-butadiene - CAS 92136-43-1
Catalog: |
BB040437 |
Product Name: |
1-(Boc-amino)-2,3-butadiene |
CAS: |
92136-43-1 |
Synonyms: |
tert-butyl N-buta-2,3-dienylcarbamate |
Description: | 1-(Boc-amino)-2,3-butadiene (CAS# 92136-43-1 ) is a useful research chemical. |
Molecular Weight: | 169.22 |
Molecular Formula: | C9H15NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC=C=C |
InChI: | InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11) |
InChI Key: | AMRPVMHVZVNBQI-UHFFFAOYSA-N |
LogP: | 2.24310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2146319-A1 | Polyamine derivatives as anti-cytomegaloviral agents | 19921005 |
EP-0662829-A1 | Polyamine derivatives as anti-cytomegaloviral agents | 19921005 |
HU-T72663-A | Pharmaceutical compositions containing polyamine derivatives as anticytomegaloviral agents | 19921005 |
WO-9407480-A1 | Polyamine derivatives as anti-cytomegaloviral agents | 19921005 |
AU-628174-B2 | A method of potentiating cell-mediated immunity utilizing polyamine derivatives | 19890523 |
Complexity: | 197 |
Compound Is Canonicalized: | No |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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