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181657-57-8 | Cyclopentanamine, 2-(phenylmethoxy)-, (1S,2S)-
CAS No: 181657-57-8 Catalog No: AG00230G MDL No:
Product Description
Catalog Number:
AG00230G
Chemical Name:
Cyclopentanamine, 2-(phenylmethoxy)-, (1S,2S)-
CAS Number:
181657-57-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
(1S,2S)-2-phenylmethoxycyclopentan-1-amine
InChI:
InChI=1S/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12-/m0/s1
InChI Key:
JIMSXLUBRRQALI-RYUDHWBXSA-N
SMILES:
N[C@H]1CCC[C@@H]1OCc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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