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7796-64-7 | 2-Buten-1-aminium, N,N-diethyl-N-2-propynyl-, bromide
CAS No: 7796-64-7 Catalog No: AG0055JE MDL No:
Product Description
Catalog Number:
AG0055JE
Chemical Name:
2-Buten-1-aminium, N,N-diethyl-N-2-propynyl-, bromide
CAS Number:
7796-64-7
Molecular Formula:
C11H20BrN
Molecular Weight:
246.1872
IUPAC Name:
but-2-enyl-diethyl-prop-2-ynylazanium;bromide
InChI:
InChI=1S/C11H20N.BrH/c1-5-9-11-12(7-3,8-4)10-6-2;/h2,5,9H,7-8,10-11H2,1,3-4H3;1H/q+1;/p-1
InChI Key:
KAAMSZWGLQDVTR-UHFFFAOYSA-M
SMILES:
C#CC[N+](CC=CC)(CC)CC.[Br-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.192g/mol
Monoisotopic Mass:
245.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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