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102280-49-9 | 1H-Imidazol-2-amine, 4,5-dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-, 4-methylbenzenesulfonate (1:1)
CAS No: 102280-49-9 Catalog No: AG00073F MDL No:
Product Description
Catalog Number:
AG00073F
Chemical Name:
1H-Imidazol-2-amine, 4,5-dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-, 4-methylbenzenesulfonate (1:1)
CAS Number:
102280-49-9
Molecular Formula:
C20H25N3O3S
Molecular Weight:
387.4958
IUPAC Name:
4-methylbenzenesulfonic acid;N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
InChI:
InChI=1S/C13H17N3.C7H8O3S/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);2-5H,1H3,(H,8,9,10)
InChI Key:
QDRSWMWTRHEOCY-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)Nc1cccc2c1CCCC2.Cc1ccc(cc1)S(=O)(=O)O
NSC Number:
170427
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
387.498g/mol
Monoisotopic Mass:
387.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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