4-Amino-3-penten-2-one - CAS 1118-66-7
Catalog: |
BB002823 |
Product Name: |
4-Amino-3-penten-2-one |
CAS: |
1118-66-7 |
Synonyms: |
(Z)-4-aminopent-3-en-2-one |
IUPAC Name: | (Z)-4-aminopent-3-en-2-one |
Description: | 4-Amino-3-penten-2-one (CAS# 1118-66-7) is a useful research chemical. |
Molecular Weight: | 99.13 |
Molecular Formula: | C5H9NO |
Canonical SMILES: | CC(=CC(=O)C)N |
InChI: | InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3- |
InChI Key: | OSLAYKKXCYSJSF-ARJAWSKDSA-N |
Boiling Point: | 130-131 °C |
Melting Point: | 38 °C |
Purity: | 98 % |
Density: | 0.941 g/cm3 |
Appearance: | Yellow to brown crystalline solid |
Storage: | 0-6 °C |
MDL: | MFCD00043715 |
LogP: | 1.13820 |
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-2021173591-A1 | Compounds and methods of use | 20200224 |
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PMID | Publication Date | Title | Journal |
16024279 | 20060301 | Vibrational assignment, structure and intramolecular hydrogen bond study of 3-amino-1-phenyl-2-buten-1-one | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
15996514 | 20051201 | Vibrational assignment, structure and intramolecular hydrogen bond of 4-methylamino-3-penten-2-one | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
12166739 | 20020601 | Vibrational assignment of 4-amino-3-penten-2-one | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 99.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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