1-Methyl-4-(pyrrolidin-2-yl)-1H-pyrazole - CAS 1170640-87-5
Catalog: |
BB052780 |
Product Name: |
1-Methyl-4-(pyrrolidin-2-yl)-1H-pyrazole |
CAS: |
1170640-87-5 |
Synonyms: |
1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole |
IUPAC Name: | 1-methyl-4-pyrrolidin-2-ylpyrazole |
Molecular Weight: | 151.21 |
Molecular Formula: | C8H13N3 |
Canonical SMILES: | CN1C=C(C=N1)C2CCCN2 |
InChI: | InChI=1S/C8H13N3/c1-11-6-7(5-10-11)8-3-2-4-9-8/h5-6,8-9H,2-4H2,1H3 |
InChI Key: | VRQSNISBSWLYIN-UHFFFAOYSA-N |
Boiling Point: | 271.8±28.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.110947427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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Related Functional Groups
Pyrazoles
Pyrrolidines
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