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1017606-58-4

1017606-58-4 | 1-Piperazinecarboxylic acid, 4-[(2S)-2-aminopropyl]-, 1,1-dimethylethyl ester

CAS No: 1017606-58-4 Catalog No: AG0005EY MDL No:MFCD18249855

Product Description

Catalog Number:
AG0005EY
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(2S)-2-aminopropyl]-, 1,1-dimethylethyl ester
CAS Number:
1017606-58-4
Molecular Formula:
C12H25N3O2
Molecular Weight:
243.3458
MDL Number:
MFCD18249855
IUPAC Name:
tert-butyl 4-[(2S)-2-aminopropyl]piperazine-1-carboxylate
InChI:
InChI=1S/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3/t10-/m0/s1
InChI Key:
YRSSUIZMGOJGOZ-JTQLQIEISA-N
SMILES:
C[C@@H](CN1CCN(CC1)C(=O)OC(C)(C)C)N

Properties

Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.195g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.351g/mol
Monoisotopic Mass:
243.195g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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