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113816-90-3 | 2-Propanol, 2-methyl-1-[3-(phenylamino)-2-(1-pyrrolidinyl)propoxy]-
CAS No: 113816-90-3 Catalog No: AG0009S7 MDL No:
Product Description
Catalog Number:
AG0009S7
Chemical Name:
2-Propanol, 2-methyl-1-[3-(phenylamino)-2-(1-pyrrolidinyl)propoxy]-
CAS Number:
113816-90-3
Molecular Formula:
C17H28N2O2
Molecular Weight:
292.4164
IUPAC Name:
1-(3-anilino-2-pyrrolidin-1-ylpropoxy)-2-methylpropan-2-ol
InChI:
InChI=1S/C17H28N2O2/c1-17(2,20)14-21-13-16(19-10-6-7-11-19)12-18-15-8-4-3-5-9-15/h3-5,8-9,16,18,20H,6-7,10-14H2,1-2H3
InChI Key:
JUMMJUNSHOMKJO-UHFFFAOYSA-N
SMILES:
CC(COCC(N1CCCC1)CNc1ccccc1)(O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.215g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.423g/mol
Monoisotopic Mass:
292.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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