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20520-98-3 | Cyclopentanol, 2-[[(phenylmethyl)amino]methyl]-, cis- (9CI)
CAS No: 20520-98-3 Catalog No: AG0029XL MDL No:
Product Description
Catalog Number:
AG0029XL
Chemical Name:
Cyclopentanol, 2-[[(phenylmethyl)amino]methyl]-, cis- (9CI)
CAS Number:
20520-98-3
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
(1R,2R)-2-[(benzylamino)methyl]cyclopentan-1-ol
InChI:
InChI=1S/C13H19NO/c15-13-8-4-7-12(13)10-14-9-11-5-2-1-3-6-11/h1-3,5-6,12-15H,4,7-10H2/t12-,13-/m1/s1
InChI Key:
XEFKGMPALYXZAW-CHWSQXEVSA-N
SMILES:
O[C@@H]1CCC[C@@H]1CNCc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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