Home Other Building Blocks 2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethan-1-amine

2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethan-1-amine

CAS No.:
27797-24-6
Catalog Number:
AG01C747
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
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Product Description
Catalog Number:
AG01C747
Chemical Name:
2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethan-1-amine
CAS Number:
27797-24-6
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD20280199
IUPAC Name:
2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
InChI:
InChI=1S/C11H15NO/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4,11H,5-8,12H2
InChI Key:
YLNMRYQXJHZILH-UHFFFAOYSA-N
SMILES:
NCCC1OCCc2c1cccc2
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties