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88365-61-1 | Ethanaminium, N-(2-bromo-3-methylbutylidene)-N-ethyl-, bromide
CAS No: 88365-61-1 Catalog No: AG004J3X MDL No:
Product Description
Catalog Number:
AG004J3X
Chemical Name:
Ethanaminium, N-(2-bromo-3-methylbutylidene)-N-ethyl-, bromide
CAS Number:
88365-61-1
Molecular Formula:
C9H19Br2N
Molecular Weight:
301.0619
IUPAC Name:
(2-bromo-3-methylbutylidene)-diethylazanium;bromide
InChI:
InChI=1S/C9H19BrN.BrH/c1-5-11(6-2)7-9(10)8(3)4;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1
InChI Key:
IVHPQMRVLJEATI-UHFFFAOYSA-M
SMILES:
CC[N+](=CC(C(C)C)Br)CC.[Br-]
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.066g/mol
Monoisotopic Mass:
298.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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