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84434-68-4 | 1-Propanaminium,3-chloro-2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride (1:1)
CAS No: 84434-68-4 Catalog No: AG004WQ6 MDL No:
Product Description
Catalog Number:
AG004WQ6
Chemical Name:
1-Propanaminium,3-chloro-2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride (1:1)
CAS Number:
84434-68-4
Molecular Formula:
C7H17Cl2NO2
Molecular Weight:
218.1214
IUPAC Name:
(3-chloro-2-hydroxypropyl)-(2-hydroxyethyl)-dimethylazanium;chloride
InChI:
InChI=1S/C7H17ClNO2.ClH/c1-9(2,3-4-10)6-7(11)5-8;/h7,10-11H,3-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
WSEBKJRVPMLGFV-UHFFFAOYSA-M
SMILES:
OCC[N+](CC(CCl)O)(C)C.[Cl-]
EC Number:
282-869-8
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.118g/mol
Monoisotopic Mass:
217.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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