Home Nitros 1,2-dihydroisoquinolin-1-ylidene(nitroso)methanamine

1,2-dihydroisoquinolin-1-ylidene(nitroso)methanamine

CAS No.:
1955564-43-8
Catalog Number:
AG01DUC6
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
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Product Description
Catalog Number:
AG01DUC6
Chemical Name:
1,2-dihydroisoquinolin-1-ylidene(nitroso)methanamine
CAS Number:
1955564-43-8
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD26143743
IUPAC Name:
(Z)-8aH-isoquinolin-1-ylidene(nitroso)methanamine
InChI:
InChI=1S/C10H9N3O/c11-10(13-14)9-8-4-2-1-3-7(8)5-6-12-9/h1-6,8H,11H2/b10-9-
InChI Key:
DPTIXZKGLDWDJU-KTKRTIGZSA-N
SMILES:
O=NC(=c1[nH]ccc2c1cccc2)N
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties