Home Aminos 2-{[2-(4-aminophenyl)ethyl]amino}ethan-1-ol

2-{[2-(4-aminophenyl)ethyl]amino}ethan-1-ol

CAS No.:
1225351-20-1
Catalog Number:
AG01BB2N
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
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Product Description
Catalog Number:
AG01BB2N
Chemical Name:
2-{[2-(4-aminophenyl)ethyl]amino}ethan-1-ol
CAS Number:
1225351-20-1
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD19306115
IUPAC Name:
2-[2-(4-aminophenyl)ethylamino]ethanol
InChI:
InChI=1S/C10H16N2O/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8,11H2
InChI Key:
LHISABQPMWXWCC-UHFFFAOYSA-N
SMILES:
OCCNCCc1ccc(cc1)N
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Analyses of the genotoxic and mutagenic potential of the products formed after the biotransformation of the azo dye Disperse Red 1. Toxicology in vitro : an international journal published in association with BIBRA 20111201
Properties