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1788036-28-1 | Carbamic acid, N-[(1S,3S)-3-aminocyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1788036-28-1 Catalog No: AG0026BJ MDL No:MFCD18632893
Product Description
Catalog Number:
AG0026BJ
Chemical Name:
Carbamic acid, N-[(1S,3S)-3-aminocyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1788036-28-1
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD18632893
IUPAC Name:
tert-butyl N-[(1S,3S)-3-aminocyclohexyl]carbamate
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChI Key:
OBSACSBMTRJNPH-IUCAKERBSA-N
SMILES:
N[C@H]1CCC[C@@H](C1)NC(=O)OC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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