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1391731-16-0 | N-Boc-(1S, 2R)-diaminocyclohexane (R)-Hydroxyphenylaceticacid salt
CAS No: 1391731-16-0 Catalog No: AG003VGN MDL No:
Product Description
Catalog Number:
AG003VGN
Chemical Name:
N-Boc-(1S, 2R)-diaminocyclohexane (R)-Hydroxyphenylaceticacid salt
CAS Number:
1391731-16-0
Molecular Formula:
C19H30N2O5
Molecular Weight:
366.4519
IUPAC Name:
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;(2R)-2-hydroxy-2-phenylacetic acid
InChI:
InChI=1S/C11H22N2O2.C8H8O3/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7(8(10)11)6-4-2-1-3-5-6/h8-9H,4-7,12H2,1-3H3,(H,13,14);1-5,7,9H,(H,10,11)/t8-,9+;7-/m11/s1
InChI Key:
HAQTXHODPIHEOH-YOTSKVBOSA-N
SMILES:
O[C@H](c1ccccc1)C(=O)O.O=C(OC(C)(C)C)N[C@H]1CCCC[C@H]1N
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
366.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
366.458g/mol
Monoisotopic Mass:
366.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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