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130611-21-1 | 2H-1-Benzopyran-6-ol, 2-[2-(dimethylamino)ethyl]-3,4-dihydro-2,5,7,8-tetramethyl-, hydrochloride (1:1)
CAS No: 130611-21-1 Catalog No: AG000UP8 MDL No:
Product Description
Catalog Number:
AG000UP8
Chemical Name:
2H-1-Benzopyran-6-ol, 2-[2-(dimethylamino)ethyl]-3,4-dihydro-2,5,7,8-tetramethyl-, hydrochloride (1:1)
CAS Number:
130611-21-1
Molecular Formula:
C17H28ClNO2
Molecular Weight:
313.8627
IUPAC Name:
2-[2-(dimethylamino)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
InChI:
InChI=1S/C17H27NO2/c1-11-12(2)16-14(13(3)15(11)19)7-8-17(4,20-16)9-10-18(5)6/h19H,7-10H2,1-6H3
InChI Key:
DYNIOWJSSKCSFL-UHFFFAOYSA-N
SMILES:
CN(CCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)C.Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.408g/mol
Monoisotopic Mass:
277.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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