(1-Phenylcyclobutyl)methylamine - CAS 91245-59-9
Catalog: |
BB040089 |
Product Name: |
(1-Phenylcyclobutyl)methylamine |
CAS: |
91245-59-9 |
Synonyms: |
(1-phenylcyclobutyl)methanamine; (1-phenylcyclobutyl)methanamine |
IUPAC Name: | (1-phenylcyclobutyl)methanamine |
Description: | (1-Phenylcyclobutyl)methylamine (CAS# 91245-59-9) is a useful research chemical. |
Molecular Weight: | 161.24 |
Molecular Formula: | C11H15N |
Canonical SMILES: | C1CC(C1)(CN)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H15N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2 |
InChI Key: | AUOZFCSMXYBIQW-UHFFFAOYSA-N |
Boiling Point: | 256.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.018 g/cm3 |
LogP: | 2.76730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019133445-A1 | Aminothiazoles as inhibitors of vanin-1 | 20171228 |
EP-2797870-A1 | Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives | 20111230 |
EP-2797870-B1 | Compositions, synthesis, and methods of using 1-[1-phenyl-cyclobutyl]isobutylamine derivatives | 20111230 |
US-10035761-B2 | Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives | 20111230 |
US-2014024679-A1 | Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives | 20111230 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.120449483 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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