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115811-84-2 | 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, bromide (1:1)
CAS No: 115811-84-2 Catalog No: AG000GW1 MDL No:
Product Description
Catalog Number:
AG000GW1
Chemical Name:
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, bromide (1:1)
CAS Number:
115811-84-2
Molecular Formula:
C6H15BrClNO
Molecular Weight:
232.5464
IUPAC Name:
(3-chloro-2-hydroxypropyl)-trimethylazanium;bromide
InChI:
InChI=1S/C6H15ClNO.BrH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
ZPNTYIBGYOQQSC-UHFFFAOYSA-M
SMILES:
ClCC(C[N+](C)(C)C)O.[Br-]
Properties
Complexity:
79.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.003g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.546g/mol
Monoisotopic Mass:
231.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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