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88630-42-6 | 2(1H)-Isoquinolinecarboxamide,N-butyl-3,4-dihydro-
CAS No: 88630-42-6 Catalog No: AG0049UZ MDL No:
Product Description
Catalog Number:
AG0049UZ
Chemical Name:
2(1H)-Isoquinolinecarboxamide,N-butyl-3,4-dihydro-
CAS Number:
88630-42-6
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
N-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C14H20N2O/c1-2-3-9-15-14(17)16-10-8-12-6-4-5-7-13(12)11-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)
InChI Key:
MPGHTXLKWNDCHB-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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