(1-Phenylcyclopropyl)methanol - CAS 31729-66-5
Catalog: |
BB021039 |
Product Name: |
(1-Phenylcyclopropyl)methanol |
CAS: |
31729-66-5 |
Synonyms: |
(1-phenylcyclopropyl)methanol; (1-phenylcyclopropyl)methanol |
IUPAC Name: | (1-phenylcyclopropyl)methanol |
Description: | (1-Phenylcyclopropyl)methanol (CAS# 31729-66-5) is a useful research chemical. |
Molecular Weight: | 148.20 |
Molecular Formula: | C10H12O |
Canonical SMILES: | C1CC1(CO)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
InChI Key: | APALRPYIDIBHQN-UHFFFAOYSA-N |
Boiling Point: | 248.9 °C at 760 mmHg |
Density: | 1.141 g/cm3 |
LogP: | 1.71050 |
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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021071843-A1 | Muscarinic acetylcholine m1 receptor antagonists | 20191007 |
AU-2017213628-A1 | Inhibitors of receptor-interacting protein kinase 1 | 20160205 |
CA-3012832-A1 | Compounds, compositions and methods | 20160205 |
EP-3414239-A2 | Inhibitors of receptor-interacting protein kinase 1 | 20160205 |
JP-2019508407-A | Compound, composition and method | 20160205 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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