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198896-92-3 | PYRIDINIUM, 4-AMINO-1-(3-PHENYLPROPYL)-, BROMIDE (1:1)
CAS No: 198896-92-3 Catalog No: AG002BSH MDL No:
Product Description
Catalog Number:
AG002BSH
Chemical Name:
PYRIDINIUM, 4-AMINO-1-(3-PHENYLPROPYL)-, BROMIDE (1:1)
CAS Number:
198896-92-3
Molecular Formula:
C14H17BrN2
Molecular Weight:
293.2022
IUPAC Name:
1-(3-phenylpropyl)pyridin-1-ium-4-amine;bromide
InChI:
InChI=1S/C14H16N2.BrH/c15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13;/h1-3,5-6,8-9,11-12,15H,4,7,10H2;1H
InChI Key:
MJQLIIJLIGPCOP-UHFFFAOYSA-N
SMILES:
Nc1cc[n+](cc1)CCCc1ccccc1.[Br-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.208g/mol
Monoisotopic Mass:
292.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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