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1353999-74-2 | 2-((R)-1-Benzyl-pyrrolidin-3-ylamino)-ethanol
CAS No: 1353999-74-2 Catalog No: AG01FABS MDL No:
Product Description
Catalog Number:
AG01FABS
Chemical Name:
2-((R)-1-Benzyl-pyrrolidin-3-ylamino)-ethanol
CAS Number:
1353999-74-2
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]ethanol
InChI:
InChI=1S/C13H20N2O/c16-9-7-14-13-6-8-15(11-13)10-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-/m1/s1
InChI Key:
NOFBNKNLZZXFSQ-CYBMUJFWSA-N
SMILES:
OCCN[C@@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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