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2744-09-4 | TRANS-DECAHYDROISOQUINOLINE
CAS No: 2744-09-4 Catalog No: AG003UYX MDL No:
Product Description
Catalog Number:
AG003UYX
Chemical Name:
TRANS-DECAHYDROISOQUINOLINE
CAS Number:
2744-09-4
IUPAC Name:
(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
InChI:
InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2/t8-,9-/m1/s1
InChI Key:
NENLYAQPNATJSU-RKDXNWHRSA-N
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
139.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.242g/mol
Monoisotopic Mass:
139.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Total synthesis of (+/-)fasicularin via a 2-amidoacrolein cycloaddition. | Organic letters 20020207 |
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