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Home > Quinoline > 168899-60-3
168899-60-3 | 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-
CAS No: 168899-60-3 Catalog No: AG001YCO MDL No:MFCD01315994
Product Description
Catalog Number:
AG001YCO
Chemical Name:
3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-
CAS Number:
168899-60-3
Molecular Formula:
C14H26N2O
Molecular Weight:
238.3690
MDL Number:
MFCD01315994
IUPAC Name:
N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChI Key:
UPZBXVBPICTBDP-UHFFFAOYSA-N
SMILES:
O=C(C1NCC2C(C1)CCCC2)NC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.205g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.375g/mol
Monoisotopic Mass:
238.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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