N-(Benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine - CAS 152120-62-2
Catalog: |
BB010748 |
Product Name: |
N-(Benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine |
CAS: |
152120-62-2 |
Synonyms: |
benzyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate |
IUPAC Name: | benzyl N-[amino(pyrazol-1-yl)methylidene]carbamate |
Description: | N-(Benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine (CAS# 152120-62-2) is a useful research chemical. |
Molecular Weight: | 244.25 |
Molecular Formula: | C12H12N4O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)N=C(N)N2C=CC=N2 |
InChI: | InChI=1S/C12H12N4O2/c13-11(16-8-4-7-14-16)15-12(17)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,15,17) |
InChI Key: | BXUMISWXFKCEIA-UHFFFAOYSA-N |
Boiling Point: | 430.7 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00274657 |
LogP: | 2.08300 |
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 |
US-2008207655-A1 | Diaminopyrimidines as P2X3 and P2X2/3 modulators | 20070228 |
US-2010278745-A1 | Compounds for fluorescence imaging | 20061221 |
EP-1813623-A1 | Purinenucleoside derivative modified in 8-position and medicinal use thereof | 20040917 |
EP-1813623-B1 | Purinenucleoside derivative modified in 8-position and medicinal use thereof | 20040917 |
US-2007179115-A1 | Purinenucleoside derivative modified in 8-position and medical use thereof | 20040917 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.09602564 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.09602564 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.1 |
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