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104095-95-6 | 2-[(3-Chloro-benzyl)-ethyl-amino]-ethanol
CAS No: 104095-95-6 Catalog No: AG01FBGE MDL No:
Product Description
Catalog Number:
AG01FBGE
Chemical Name:
2-[(3-Chloro-benzyl)-ethyl-amino]-ethanol
CAS Number:
104095-95-6
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
IUPAC Name:
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
InChI:
InChI=1S/C11H16ClNO/c1-2-13(6-7-14)9-10-4-3-5-11(12)8-10/h3-5,8,14H,2,6-7,9H2,1H3
InChI Key:
ZTMRVKSGNKCGAA-UHFFFAOYSA-N
SMILES:
OCCN(Cc1cccc(c1)Cl)CC
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.705g/mol
Monoisotopic Mass:
213.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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