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71581-92-5 | ((1R,2S)-2-(Benzylamino)cyclohexyl)methanol
CAS No: 71581-92-5 Catalog No: AG003BCK MDL No:MFCD00151395
Product Description
Catalog Number:
AG003BCK
Chemical Name:
((1R,2S)-2-(Benzylamino)cyclohexyl)methanol
CAS Number:
71581-92-5
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
MDL Number:
MFCD00151395
IUPAC Name:
[(1R,2S)-2-(benzylamino)cyclohexyl]methanol
InChI:
InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m0/s1
InChI Key:
BRQFIORUNWWNBM-KBPBESRZSA-N
SMILES:
OC[C@@H]1CCCC[C@@H]1NCc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| The practical synthesis of (2S)-7-methoxy-1,2,3,4-tetrahydro-2-naphthylamine via optical resolution of 2-(3-methoxybenzyl)succinic acid. | Chemical & pharmaceutical bulletin 20010301 |
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