sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-Phenoxyethylamine

2-Phenoxyethylamine

CAS No.:
1758-46-9
Catalog Number:
AG00217O
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$18
- +
5g
98%
In Stock USA
United States
$34
- +
25g
98%
In Stock USA
United States
$85
- +
100g
98%
In Stock USA
United States
$257
- +
Product Description
Catalog Number:
AG00217O
Chemical Name:
2-Phenoxyethylamine
CAS Number:
1758-46-9
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD00052975
IUPAC Name:
2-phenoxyethanamine
InChI:
InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChI Key:
IMLAIXAZMVDRGA-UHFFFAOYSA-N
SMILES:
NCCOc1ccccc1
EC Number:
217-153-6
UNII:
8DGQ1B38R5
Properties
Complexity:
79.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Amiodarone and its putative metabolites fail to activate wild type hTAAR1. Bioorganic & medicinal chemistry letters 20091015
Discovery of novel phenethylpyridone derivatives as potent melanin-concentrating hormone 1 receptor antagonists. Bioorganic & medicinal chemistry letters 20090901
Switchable V-type [2]pseudorotaxanes. Organic letters 20090806
In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators. PLoS computational biology 20071101
New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking. Journal of medicinal chemistry 20061019
QSAR of estrogen receptor modulators: exploring selectivity requirements for ER(alpha) versus ER(beta) binding of tetrahydroisoquinoline derivatives using E-state and physicochemical parameters. Bioorganic & medicinal chemistry letters 20050215
Syntheses of 1,4-benzothiazepines and 1,4-benzoxazepines via cyclizations of 1-[2-arylthio(oxy)ethyl]-5-benzotriazolyl-2-pyrrolidinones and 3-benzotriazolyl-2-[2-arylthio(oxy)ethyl]-1-isoindolinones. The Journal of organic chemistry 20010810
Properties