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1-Boc-4-methylpiperazine

CAT: 0926-FB66832-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FB66832-01Size:10 g
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CAS Number
53788-49-1
Synonyms
1-Methyl-4- (tert-butoxycarbonyl) piperazine; N-Boc-N'-methylpiperazine;4-Methylpiperazine-1-carboxylic acid tert-butyl ester; N-Boc-N-m ethylpiperazine;4-Methyl-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
MDL Number
MFCD03840525
Smiles
CC (C) (C) OC (=O) N1CCN (CC1) C
Molecular Formula
C10H20N2O2
Molecular Weight
200.28 g/mol
Controlled
No

Chemical Information

1-Boc-4-methylpiperazine
CAS Number53788-49-1
PubChem CID11401394
IUPAC Nametert-butyl 4-methylpiperazine-1-carboxylate
Molecular FormulaC10H20N2O2
Molecular Weight200.28
XLogP0.9
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity203
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3
InChIKey
CJDYFMIDIQXELO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Boc-4-methylpiperazine
CAS: 53788-49-1
CID: 11401394
Formula: C10H20N2O2
MW: 200.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.28
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass200.152477885
Monoisotopic Mass200.152477885
Topological Polar Surface Area32.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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