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6-Boc-Hynic

CAT: 0572-TRC-B943415-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B943415-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133081-25-1
Synonyms
6-[2-(tert-Butoxycarbonyl)hydrazinyl]nicotinic Acid; 6-[1-[(1,1-Dimethylethoxy)carbonyl]hydrazinyl]-3-pyridinecarboxylic Acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)(C)OC(=O)NNc1ccc(cn1)C(=O)O
Molecular Formula
C11 H15 N3 O4
Molecular Weight
253.255
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-13-8-5-4-7(6-12-8)9(15)16/h4-6H,1-3H3,(H,12,13)(H,14,17)(H,15,16)
Additionnal Information
IUPAC name: 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-[2-(tert-Butoxycarbonyl)hydrazinyl]nicotinic acid
CAS Number133081-25-1
PubChem CID11311327
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylic acid
Molecular FormulaC11H15N3O4
Molecular Weight253.25
XLogP1.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity314
SMILES
CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-13-8-5-4-7(6-12-8)9(15)16/h4-6H,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKey
DBNGJNCAXKNLLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[2-(tert-Butoxycarbonyl)hydrazinyl]nicotinic acid
CAS: 133081-25-1
CID: 11311327
Formula: C11H15N3O4
MW: 253.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.25
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass253.10625597
Monoisotopic Mass253.10625597
Topological Polar Surface Area101 Ų
Heavy Atom Count18
Formal Charge0
Complexity314
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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