2-Benzylaminoethanol - CAS 104-63-2
Catalog: |
BB001439 |
Product Name: |
2-Benzylaminoethanol |
CAS: |
104-63-2 |
Synonyms: |
2-(benzylamino)ethanol |
IUPAC Name: | 2-(benzylamino)ethanol |
Description: | 2-Benzylaminoethanol (CAS# 104-63-2) is used in the synthesis of imidazoles as potent calcitonin (CGRP) antagonists. Also it aids in the preparation of benzofused hydroxamix acids, as useful fragments for the synthesis of histone deacetylase inhibitors. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | C1=CC=C(C=C1)CNCCO |
InChI: | InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
InChI Key: | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
Boiling Point: | 153-156 °C (12 mmHg) |
Purity: | 95 % |
Density: | 1.065 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00002840 |
LogP: | 1.15940 |
Vapor Pressure: | 0.000372 [mmHg] |
GHS Hazard Statement: | H314 (41.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021113576-A1 | Aqueous fluororesin coating composition | 20191206 |
WO-2021095876-A1 | Lipid composition | 20191115 |
WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
WO-2021084955-A1 | Urethane resin composition, adhesive, and synthetic leather | 20191028 |
WO-2021021768-A1 | Aqueous fluororesin coating composition | 20190729 |
PMID | Publication Date | Title | Journal |
18640043 | 20080801 | Muscarinic receptor 1 agonist activity of novel N-arylthioureas substituted 3-morpholino arecoline derivatives in Alzheimer's presenile dementia models | Bioorganic & medicinal chemistry |
12857108 | 20030701 | Design and synthesis of a diverse morpholine template library | Journal of combinatorial chemistry |
12590540 | 20030226 | Efficient synthesis of NK(1) receptor antagonist aprepitant using a crystallization-induced diastereoselective transformation | Journal of the American Chemical Society |
Complexity: | 89.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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