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1781139-43-2 | 2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
CAS No: 1781139-43-2 Catalog No: AG01EMTP MDL No:
Product Description
Catalog Number:
AG01EMTP
Chemical Name:
2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
CAS Number:
1781139-43-2
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
InChI:
InChI=1S/C14H21NO/c1-14(2,16)7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,15-16H,5-8,10H2,1-2H3
InChI Key:
XEGVQHNZHRRPAQ-UHFFFAOYSA-N
SMILES:
CC(CCc1ccc2c(c1)CCNC2)(O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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