tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate

• ChemBase ID: 65259
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: C12(CC(C1)N)CN(C2)C(=O)OC(C)(C)C
• Canonical SMILES: NC1CC2(C1)CN(C2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11/h8H,4-7,12H2,1-3H3
• InChIKey: WJDUCDSPGKNBBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
• IUPAC Traditional name: tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
• Synonyms: tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate; 6-Amino-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester

Database IDs

• CAS Number: 1211586-09-2
• MDL Number: MFCD15071432
• PubChem SID: 162030998
• PubChem CID: 46930560

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.577574
• LogD (pH = 7.4): -1.959199
• Log P: 0.43766695
• Molar Refractivity: 57.47 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.636

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%