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1250971-00-6 | 2-[(3-Chloro-benzyl)-cyclopropyl-amino]-ethanol
CAS No: 1250971-00-6 Catalog No: AG01F9S8 MDL No:
Product Description
Catalog Number:
AG01F9S8
Chemical Name:
2-[(3-Chloro-benzyl)-cyclopropyl-amino]-ethanol
CAS Number:
1250971-00-6
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
2-[(3-chlorophenyl)methyl-cyclopropylamino]ethanol
InChI:
InChI=1S/C12H16ClNO/c13-11-3-1-2-10(8-11)9-14(6-7-15)12-4-5-12/h1-3,8,12,15H,4-7,9H2
InChI Key:
UYVBNTBLNBUAFX-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1cccc(c1)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/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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