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1248644-79-2 | 2-[(3-Chloro-benzyl)-isopropyl-amino]-ethanol
CAS No: 1248644-79-2 Catalog No: AG01FA9W MDL No:
Product Description
Catalog Number:
AG01FA9W
Chemical Name:
2-[(3-Chloro-benzyl)-isopropyl-amino]-ethanol
CAS Number:
1248644-79-2
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
IUPAC Name:
2-[(3-chlorophenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C12H18ClNO/c1-10(2)14(6-7-15)9-11-4-3-5-12(13)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3
InChI Key:
AWHDPRILFYIXJY-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1cccc(c1)Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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