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1247398-11-3 | 2-[Isopropyl-(4-methyl-benzyl)-amino]-ethanol
CAS No: 1247398-11-3 Catalog No: AG01FA9P MDL No:
Product Description
Catalog Number:
AG01FA9P
Chemical Name:
2-[Isopropyl-(4-methyl-benzyl)-amino]-ethanol
CAS Number:
1247398-11-3
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
IUPAC Name:
2-[(4-methylphenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C13H21NO/c1-11(2)14(8-9-15)10-13-6-4-12(3)5-7-13/h4-7,11,15H,8-10H2,1-3H3
InChI Key:
XZONFSPRQJKBQQ-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1ccc(cc1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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