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137628-02-5 | Pyridinium, 4-amino-1-(phenylmethyl)-
CAS No: 137628-02-5 Catalog No: AG0013N0 MDL No:
Product Description
Catalog Number:
AG0013N0
Chemical Name:
Pyridinium, 4-amino-1-(phenylmethyl)-
CAS Number:
137628-02-5
Molecular Formula:
C12H13N2+
Molecular Weight:
185.2450
IUPAC Name:
1-benzylpyridin-1-ium-4-amine
InChI:
InChI=1S/C12H12N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-9,13H,10H2/p+1
InChI Key:
KHFPLJSUSKBXHP-UHFFFAOYSA-O
SMILES:
Nc1cc[n+](cc1)Cc1ccccc1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.108g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.25g/mol
Monoisotopic Mass:
185.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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