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102207-35-2 | Piperidinium, 1-methyl-1-[2-(methylphenylamino)ethyl]-, bromide (1:1)
CAS No: 102207-35-2 Catalog No: AG0006XN MDL No:
Product Description
Catalog Number:
AG0006XN
Chemical Name:
Piperidinium, 1-methyl-1-[2-(methylphenylamino)ethyl]-, bromide (1:1)
CAS Number:
102207-35-2
Molecular Formula:
C15H25BrN2
Molecular Weight:
313.2764
IUPAC Name:
N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline;bromide
InChI:
InChI=1S/C15H25N2.BrH/c1-16(15-9-5-3-6-10-15)11-14-17(2)12-7-4-8-13-17;/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1
InChI Key:
YPXJGFWSLIFKBO-UHFFFAOYSA-M
SMILES:
CN(c1ccccc1)CC[N+]1(C)CCCCC1.[Br-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.283g/mol
Monoisotopic Mass:
312.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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