[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanol - CAS 90227-42-2
Catalog: |
BB039795 |
Product Name: |
[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanol |
CAS: |
90227-42-2 |
Synonyms: |
[1-(2-methoxyethyl)pyrrolidin-3-yl]methanol |
IUPAC Name: | [1-(2-methoxyethyl)pyrrolidin-3-yl]methanol |
Description: | [1-(2-Methoxyethyl)pyrrolidin-3-yl]methanol (CAS# 90227-42-2) is a useful research chemical. |
Molecular Weight: | 159.23 |
Molecular Formula: | C8H17NO2 |
Canonical SMILES: | COCCN1CCC(C1)CO |
InChI: | InChI=1S/C8H17NO2/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3 |
InChI Key: | ZVBJMUVVMBASLP-UHFFFAOYSA-N |
Boiling Point: | 204.8 °C at 760 mmHg |
Density: | 1.002 g/cm3 |
MDL: | MFCD00085679 |
LogP: | -0.11510 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018369759-A1 | KRas G12C inhibitors | 20171115 |
CA-3082579-A1 | Kras g12c inhibitors | 20171115 |
TW-201938555-A | KRAS G12C inhibitor | 20171115 |
US-10689377-B2 | KRas G12C inhibitors | 20171115 |
US-2019144444-A1 | Kras g12c inhibitors | 20171115 |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.125928785 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Related Functional Groups
Pyrrolidines
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