tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate

• ChemBase ID: 51304
• Molecular Formular: C11H21N3O3
• Molecular Mass: 243.30274
• Monoisotopic Mass: 243.15829155
• SMILES: C(=O)(N1CC(C(=O)NN)CCC1)OC(C)(C)C
• Canonical SMILES: NNC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
• InChIKey: DABYYYLRDBQJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate
• Synonyms: tert-butyl 3-(hydrazinocarbonyl)tetrahydro-1(2H)-pyridinecarboxylate; tert-Butyl 3-(hydrazinocarbonyl)tetrahydro-1(2H)-pyridine carboxylate; 1-BOC-NIPECOTIC ACID HYDRAZIDE

Database IDs

• CAS Number: 625470-88-4
• MDL Number: MFCD06795929
• PubChem SID: 162056067
• PubChem CID: 45158811

CALCULATED PROPERTIES

• Polarizability: 24.852577 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.882637
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21465825
• LogD (pH = 7.4): 0.21589726
• Log P: 0.21591438
• Molar Refractivity: 64.2227 cm^3

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; >97%; 98%