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1803611-03-1 | 2-(but-3-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1803611-03-1 Catalog No: AG01ACWM MDL No:MFCD27500706
Product Description
Catalog Number:
AG01ACWM
Chemical Name:
2-(but-3-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1803611-03-1
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD27500706
IUPAC Name:
2-but-3-enyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H17N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h2,4-7H,1,3,8-11H2
InChI Key:
XSUWDIKWJOLKAQ-UHFFFAOYSA-N
SMILES:
C=CCCN1CCc2c(C1)cccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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