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102280-41-1 | 1H-Imidazol-2-amine, N-(2-bromo-1-naphthalenyl)-4,5-dihydro-, hydrobromide (1:1)
CAS No: 102280-41-1 Catalog No: AG00073G MDL No:
Product Description
Catalog Number:
AG00073G
Chemical Name:
1H-Imidazol-2-amine, N-(2-bromo-1-naphthalenyl)-4,5-dihydro-, hydrobromide (1:1)
CAS Number:
102280-41-1
Molecular Formula:
C13H13Br2N3
Molecular Weight:
371.0704
IUPAC Name:
N-(2-bromonaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine;bromide
InChI:
InChI=1S/C13H12BrN3.BrH/c14-11-6-5-9-3-1-2-4-10(9)12(11)17-13-15-7-8-16-13;/h1-6H,7-8H2,(H2,15,16,17);1H
InChI Key:
OXQPKYXQCNHAIB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1NC1=NCCN1)cccc2.Br
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.946g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.076g/mol
Monoisotopic Mass:
368.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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