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1247188-42-6 | 2-[(4-Chloro-benzyl)-isopropyl-amino]-ethanol
CAS No: 1247188-42-6 Catalog No: AG01FA9O MDL No:
Product Description
Catalog Number:
AG01FA9O
Chemical Name:
2-[(4-Chloro-benzyl)-isopropyl-amino]-ethanol
CAS Number:
1247188-42-6
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
IUPAC Name:
2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C12H18ClNO/c1-10(2)14(7-8-15)9-11-3-5-12(13)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChI Key:
MEUYTDVVEFAKJX-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1ccc(cc1)Cl
Properties
Complexity:
167
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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