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1000853-53-1 | 1-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2R)-
CAS No: 1000853-53-1 Catalog No: AG0000V0 MDL No:MFCD11101216
Product Description
Catalog Number:
AG0000V0
Chemical Name:
1-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2R)-
CAS Number:
1000853-53-1
Molecular Formula:
C10H21ClN2O2
Molecular Weight:
236.7389
MDL Number:
MFCD11101216
IUPAC Name:
tert-butyl (2R)-2-methylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C10H20N2O2.ClH/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H/t8-;/m1./s1
InChI Key:
CAKKNXNGNSFBHG-DDWIOCJRSA-N
SMILES:
C[C@@H]1CNCCN1C(=O)OC(C)(C)C.Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.129g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.74g/mol
Monoisotopic Mass:
236.129g/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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