1-(3-Methylisoxazol-5-yl)methanamine - CAS 154016-55-4
Catalog: |
BB010963 |
Product Name: |
1-(3-Methylisoxazol-5-yl)methanamine |
CAS: |
154016-55-4 |
Synonyms: |
(3-methyl-1,2-oxazol-5-yl)methanamine |
IUPAC Name: | (3-methyl-1,2-oxazol-5-yl)methanamine |
Description: | 1-(3-Methylisoxazol-5-yl)methanamine (CAS# 154016-55-4) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C5H8N2O |
Canonical SMILES: | CC1=NOC(=C1)CN |
InChI: | InChI=1S/C5H8N2O/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3 |
InChI Key: | JKVMPILAJBLISV-UHFFFAOYSA-N |
Boiling Point: | 216.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.102 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 1.14200 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020247546-A1 | Adenosine analogs for the treatment of disease | 20190603 |
US-2021171475-A1 | Compounds | 20180831 |
BR-112019017171-A2 | 1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof | 20171220 |
TW-201927779-A | 1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor | 20171220 |
US-2019194189-A1 | 1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors | 20171220 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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