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88956-55-2 | Isoquinoline, 2-(cyclopropylmethyl)decahydro-4a-phenyl-, trans-
CAS No: 88956-55-2 Catalog No: AG0046LR MDL No:
Product Description
Catalog Number:
AG0046LR
Chemical Name:
Isoquinoline, 2-(cyclopropylmethyl)decahydro-4a-phenyl-, trans-
CAS Number:
88956-55-2
Molecular Formula:
C19H27N
Molecular Weight:
269.4244
IUPAC Name:
2-(cyclopropylmethyl)-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
InChI:
InChI=1S/C19H27N/c1-2-6-17(7-3-1)19-11-5-4-8-18(19)15-20(13-12-19)14-16-9-10-16/h1-3,6-7,16,18H,4-5,8-15H2
InChI Key:
OQCMAZHHSSLGJD-UHFFFAOYSA-N
SMILES:
C1CC[C@@]2([C@@H](C1)CN(CC2)CC1CC1)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.432g/mol
Monoisotopic Mass:
269.214g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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