Tìm theo
Pentanal
Thuốc Gốc
Small Molecule
CAS: 110-62-3
CTHH: C5H10O
PTK: 86.1323
Pentanal is a solid. This compound belongs to the polyamines. These are compounds containing more than one amine group. This drug targets the protein cAMP-dependent protein kinase catalytic subunit alpha.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C5H10O
Phân tử khối
86.1323
Monoisotopic mass
86.073164942
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChI Key
InChIKey=HGBOYTHUEUWSSQ-UHFFFAOYSA-N
IUPAC Name
pentanal
Traditional IUPAC Name
pentanal
SMILES
CCCCC=O
Độ tan chảy
-91.5 °C
Độ sôi
103 °C
Độ hòa tan
1.17E+004 mg/L (at 25 °C)
logP
1.21
logS
-0.76
pKa (strongest acidic)
15.59
pKa (Strongest Basic)
-6.9
PSA
17.07 Å2
Refractivity
25.55 m3·mol-1
Polarizability
10.32 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
1
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01919
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=8063
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504659
ChemSpider
http://www.chemspider.com/Chemical-Structure.7772.html
Wikipedia
http://en.wikipedia.org/wiki/Pentanal
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