1,3-Bis(tert-butoxycarbonyl)guanidine - CAS 154476-57-0
Catalog: |
BB011019 |
Product Name: |
1,3-Bis(tert-butoxycarbonyl)guanidine |
CAS: |
154476-57-0 |
Synonyms: |
tert-butyl (NE)-N-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate |
IUPAC Name: | tert-butyl N-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate |
Description: | 1,3-Bis(tert-butoxycarbonyl)guanidine (CAS# 154476-57-0) is a useful research chemical. |
Molecular Weight: | 259.30 |
Molecular Formula: | C11H21N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N |
InChI: | InChI=1S/C11H21N3O4/c1-10(2,3)17-8(15)13-7(12)14-9(16)18-11(4,5)6/h1-6H3,(H3,12,13,14,15,16) |
InChI Key: | VPWFNCFRPQFWGS-UHFFFAOYSA-N |
Density: | 1.13 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01863604 |
LogP: | 2.85210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014144561-A2 | Lysophosphatidic acid detection | 20130315 |
US-2014350024-A1 | Antimicrobial agents | 20120113 |
WO-2013106756-A2 | Antimicrobial agents | 20120113 |
WO-2013106761-A2 | Antimicrobial agents | 20120113 |
EP-2753605-A2 | Compositions, methods, and systems for the synthesis and use of imaging agents | 20110909 |
PMID | Publication Date | Title | Journal |
17551641 | 20070621 | Design and synthesis of all diastereomers of cyclic pseudo-dipeptides as mimics of cyclic CXCR4 pentapeptide antagonists | Organic & biomolecular chemistry |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.15320616 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.15320616 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.7 |
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