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92195-34-1 | 2-Butyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 92195-34-1 Catalog No: AG00IH1P MDL No:
Product Description
Catalog Number:
AG00IH1P
Chemical Name:
2-Butyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
92195-34-1
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
2-butyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h4-7H,2-3,8-11H2,1H3
InChI Key:
QDRWTFOJAASVDI-UHFFFAOYSA-N
SMILES:
CCCCN1CCc2c(C1)cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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