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111755-75-0 | 1-Propanaminium, 3-chloro-N-(2-hydroxyethyl)-N,N-dimethyl-, bromide
CAS No: 111755-75-0 Catalog No: AG0078UE MDL No:
Product Description
Catalog Number:
AG0078UE
Chemical Name:
1-Propanaminium, 3-chloro-N-(2-hydroxyethyl)-N,N-dimethyl-, bromide
CAS Number:
111755-75-0
Molecular Formula:
C7H17BrClNO
Molecular Weight:
246.5730
IUPAC Name:
3-chloropropyl-(2-hydroxyethyl)-dimethylazanium;bromide
InChI:
InChI=1S/C7H17ClNO.BrH/c1-9(2,6-7-10)5-3-4-8;/h10H,3-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
PSODMDUTUWGTBI-UHFFFAOYSA-M
SMILES:
OCC[N+](CCCCl)(C)C.[Br-]
Properties
Complexity:
85.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.018g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.573g/mol
Monoisotopic Mass:
245.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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