4-(Methyl((1-methyl-1H-pyrazol-5-yl)methyl)amino)-4-oxobut-2-enoic acid - CAS 1006334-17-3
Catalog: |
BB049194 |
Product Name: |
4-(Methyl((1-methyl-1H-pyrazol-5-yl)methyl)amino)-4-oxobut-2-enoic acid |
CAS: |
1006334-17-3 |
Synonyms: |
(2E)-4-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amino}-4-oxobut-2-enoic acid |
IUPAC Name: | (E)-4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]-4-oxobut-2-enoic acid |
Description: | 4-(Methyl((1-methyl-1H-pyrazol-5-yl)methyl)amino)-4-oxobut-2-enoic acid (CAS# 1006334-17-3 ) is a useful research chemical. |
Molecular Weight: | 223.23 |
Molecular Formula: | C10H13N3O3 |
Canonical SMILES: | CN1C(=CC=N1)CN(C)C(=O)C=CC(=O)O |
InChI: | InChI=1S/C10H13N3O3/c1-12(9(14)3-4-10(15)16)7-8-5-6-11-13(8)2/h3-6H,7H2,1-2H3,(H,15,16)/b4-3+ |
InChI Key: | FGRMYSRSCBQWAC-ONEGZZNKSA-N |
Boiling Point: | 490.3±35.0 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 223.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.09569129 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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