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792969-69-8 | (2R,5S)-1-Boc-2,5-dimethylpiperazine hydrochloride
CAS No: 792969-69-8 Catalog No: AG0036GV MDL No:MFCD14705175
Product Description
Catalog Number:
AG0036GV
Chemical Name:
(2R,5S)-1-Boc-2,5-dimethylpiperazine hydrochloride
CAS Number:
792969-69-8
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
MDL Number:
MFCD14705175
IUPAC Name:
tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H22N2O2.ClH/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;/h8-9,12H,6-7H2,1-5H3;1H/t8-,9+;/m0./s1
InChI Key:
TWALJKZSNHQOBH-OULXEKPRSA-N
SMILES:
C[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C.Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.145g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.767g/mol
Monoisotopic Mass:
250.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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