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1217442-47-1 | 1-Piperazinecarboxylic acid, 2-[(1S)-1-methylpropyl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1217442-47-1 Catalog No: AG0015O6 MDL No:MFCD07772120
Product Description
Catalog Number:
AG0015O6
Chemical Name:
1-Piperazinecarboxylic acid, 2-[(1S)-1-methylpropyl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1217442-47-1
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD07772120
IUPAC Name:
tert-butyl (2S)-2-[(2S)-butan-2-yl]piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H26N2O2.ClH/c1-6-10(2)11-9-14-7-8-15(11)12(16)17-13(3,4)5;/h10-11,14H,6-9H2,1-5H3;1H/t10-,11+;/m0./s1
InChI Key:
XMRYWOUDJCIOGU-VZXYPILPSA-N
SMILES:
CC[C@@H]([C@H]1CNCCN1C(=O)OC(C)(C)C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
278.176g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.821g/mol
Monoisotopic Mass:
278.176g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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