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137834-77-6 | Ethanol, 2-[butyl(2-chloroethyl)amino]-, hydrochloride (1:1)
CAS No: 137834-77-6 Catalog No: AG0013WX MDL No:
Product Description
Catalog Number:
AG0013WX
Chemical Name:
Ethanol, 2-[butyl(2-chloroethyl)amino]-, hydrochloride (1:1)
CAS Number:
137834-77-6
Molecular Formula:
C8H19Cl2NO
Molecular Weight:
216.1486
IUPAC Name:
2-[butyl(2-chloroethyl)amino]ethanol;hydrochloride
InChI:
InChI=1S/C8H18ClNO.ClH/c1-2-3-5-10(6-4-9)7-8-11;/h11H,2-8H2,1H3;1H
InChI Key:
DBFYNNGNIVYSIF-UHFFFAOYSA-N
SMILES:
CCCCN(CCCl)CCO.Cl
Properties
Complexity:
80.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.146g/mol
Monoisotopic Mass:
215.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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