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15827-80-2

15827-80-2 | 4-AMINO-3-CYANO-1,2,5,6-TETRAHYDROPYRIDINE

CAS No: 15827-80-2 Catalog No: AG001Q3J MDL No:MFCD04038471

Product Description

Catalog Number:
AG001Q3J
Chemical Name:
4-AMINO-3-CYANO-1,2,5,6-TETRAHYDROPYRIDINE
CAS Number:
15827-80-2
Molecular Formula:
C6H9N3
Molecular Weight:
123.1558
MDL Number:
MFCD04038471
IUPAC Name:
4-amino-1,2,3,6-tetrahydropyridine-5-carbonitrile
InChI:
InChI=1S/C6H9N3/c7-3-5-4-9-2-1-6(5)8/h9H,1-2,4,8H2
InChI Key:
SNDHGRMHEXOIHX-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)CCNC1

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.08g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
123.159g/mol
Monoisotopic Mass:
123.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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