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54856-23-4

54856-23-4 | N-Methyl-2-(pyridin-2-yl)ethanamine methanesulfonate

CAS No: 54856-23-4 Catalog No: AG003O67 MDL No:MFCD00143688

Product Description

Catalog Number:
AG003O67
Chemical Name:
N-Methyl-2-(pyridin-2-yl)ethanamine methanesulfonate
CAS Number:
54856-23-4
Molecular Formula:
C9H16N2O3S
Molecular Weight:
232.2999
MDL Number:
MFCD00143688
IUPAC Name:
methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine
InChI:
InChI=1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
InChI Key:
ZBJJDYGJCNTNTH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CNCCc1ccccn1
EC Number:
259-377-7
UNII:
X1L0E3R43Y

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.076g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
328.398g/mol
Monoisotopic Mass:
328.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
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