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1-Boc-2-methylpiperazine

CAT: 0013-GTR19252777-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19252777-01Size:2 g
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Description
1-Boc-2-methylpiperazine
CAS Number
120737-78-2
Smiles
CC1CNCCN1C (=O) OC (C) (C) C
Molecular Formula
C10H20N2O2
Molecular Weight
200.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl 2-methylpiperazine-1-carboxylate

See also: 2-Methylpiperazine, N1-BOC protected (annotation moved to).

CAS Number120737-78-2
PubChem CID15087784
IUPAC Nametert-butyl 2-methylpiperazine-1-carboxylate
Molecular FormulaC10H20N2O2
Molecular Weight200.28
XLogP0.9
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
CC1CNCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKey
DATRVIMZZZVHMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 2-methylpiperazine-1-carboxylate
CAS: 120737-78-2
CID: 15087784
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 Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass200.152477885
Monoisotopic Mass200.152477885
Topological Polar Surface Area41.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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