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88014-17-9 | 2(1H)-Isoquinolinepentanol, 3,4-dihydro-
CAS No: 88014-17-9 Catalog No: AG004NVH MDL No:
Product Description
Catalog Number:
AG004NVH
Chemical Name:
2(1H)-Isoquinolinepentanol, 3,4-dihydro-
CAS Number:
88014-17-9
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
5-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-ol
InChI:
InChI=1S/C14H21NO/c16-11-5-1-4-9-15-10-8-13-6-2-3-7-14(13)12-15/h2-3,6-7,16H,1,4-5,8-12H2
InChI Key:
AAMNAAIFTHXFKV-UHFFFAOYSA-N
SMILES:
OCCCCCN1CCc2c(C1)cccc2
Properties
Complexity:
195
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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