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188589-39-1 | 4H-1,2,4-Triazolium, 4-amino-1-decyl-, bromide (1:1)
CAS No: 188589-39-1 Catalog No: AG002H02 MDL No:
Product Description
Catalog Number:
AG002H02
Chemical Name:
4H-1,2,4-Triazolium, 4-amino-1-decyl-, bromide (1:1)
CAS Number:
188589-39-1
Molecular Formula:
C12H25BrN4
Molecular Weight:
305.2577
IUPAC Name:
1-decyl-1,5-dihydro-1,2,4-triazol-1-ium-4-amine;bromide
InChI:
InChI=1S/C12H26N4.BrH/c1-2-3-4-5-6-7-8-9-10-16-12-15(13)11-14-16;/h11H,2-10,12-13H2,1H3;1H
InChI Key:
HRVSWRLRPMXOMK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC[n+]1ncn(c1)N.[Br-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.28g/mol
Monoisotopic Mass:
306.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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