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1216991-24-0 | 4-(Methylamino)-1-(3-pyridyl)-1-butanol-1,2',3',4',5',6'-13C6
CAS No: 1216991-24-0 Catalog No: AG0015L4 MDL No:
Product Description
Catalog Number:
AG0015L4
Chemical Name:
4-(Methylamino)-1-(3-pyridyl)-1-butanol-1,2',3',4',5',6'-13C6
CAS Number:
1216991-24-0
Molecular Formula:
C10H16N2O
Molecular Weight:
186.2028
IUPAC Name:
4-(methylamino)-1-(2,3,4,5,6-13C5)pyridin-3-yl(113C)butan-1-ol
InChI:
InChI=1S/C10H16N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,10-11,13H,3,5-6H2,1H3/i2+1,4+1,7+1,8+1,9+1,10+1
InChI Key:
HGDXAKRZPVKQSZ-SQXBKTHVSA-N
SMILES:
CNCCC[13CH]([13c]1[13cH][13cH][13cH]n[13cH]1)O
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
6
Molecular Weight:
186.205g/mol
Monoisotopic Mass:
186.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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