3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-,(3S,4aS,8aS)-


Chemical Name: 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-,(3S,4aS,8aS)-
CAS Number: 136465-81-1
Product Number: AG0011VN(AGN-PC-0PKY1A)
Synonyms:
MDL No:
Molecular Formula: C14H26N2O
Molecular Weight: 238.3690

Identification/Properties


Computed Properties
Molecular Weight:
238.375g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
238.205g/mol
Monoisotopic Mass:
238.205g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
282
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H319-H412
Precautionary Statements:
P273-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback