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

(1-methyl-3,4-dihydro-1H-2-benzopyran-1-yl)methanamine

CAS No.:
2089255-03-6
Catalog Number:
AG01BS4J
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
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Product Description
Catalog Number:
AG01BS4J
Chemical Name:
(1-methyl-3,4-dihydro-1H-2-benzopyran-1-yl)methanamine
CAS Number:
2089255-03-6
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD30724127
IUPAC Name:
(1-methyl-3,4-dihydroisochromen-1-yl)methanamine
InChI:
InChI=1S/C11H15NO/c1-11(8-12)10-5-3-2-4-9(10)6-7-13-11/h2-5H,6-8,12H2,1H3
InChI Key:
IRCNHRUFYOZNBH-UHFFFAOYSA-N
SMILES:
NCC1(C)OCCc2c1cccc2
Properties
Complexity:
183  
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:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties