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101221-47-0 | Ethanol, 2-[[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propyl]methylamino]-
CAS No: 101221-47-0 Catalog No: AG0003ZK MDL No:
Product Description
Catalog Number:
AG0003ZK
Chemical Name:
Ethanol, 2-[[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propyl]methylamino]-
CAS Number:
101221-47-0
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
2-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propyl-methylamino]ethanol
InChI:
InChI=1S/C14H21NO3/c1-15(9-10-16)8-4-5-12-11-17-13-6-2-3-7-14(13)18-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChI Key:
PARIMXMLMWNNGN-UHFFFAOYSA-N
SMILES:
OCCN(CCCC1COc2c(O1)cccc2)C
NSC Number:
659153
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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