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216394-07-9 | (1S,2S)-2-(Benzyloxy)cyclohexanamine
CAS No: 216394-07-9 Catalog No: AG003BIP MDL No:MFCD01075753
Product Description
Catalog Number:
AG003BIP
Chemical Name:
(1S,2S)-2-(Benzyloxy)cyclohexanamine
CAS Number:
216394-07-9
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD01075753
IUPAC Name:
(1S,2S)-2-phenylmethoxycyclohexan-1-amine
InChI:
InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1
InChI Key:
NTHNRYLIXJZHRZ-STQMWFEESA-N
SMILES:
N[C@H]1CCCC[C@@H]1OCc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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