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140406-65-1 | Isoquinoline, 1,2,3,4-tetrahydro-2-(2-oxiranylmethyl)-
CAS No: 140406-65-1 Catalog No: AG001CDD MDL No:MFCD09731272
Product Description
Catalog Number:
AG001CDD
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(2-oxiranylmethyl)-
CAS Number:
140406-65-1
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD09731272
IUPAC Name:
2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H15NO/c1-2-4-11-7-13(8-12-9-14-12)6-5-10(11)3-1/h1-4,12H,5-9H2
InChI Key:
OBDIDGKANKNXDV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CN(CC2)CC1CO1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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