tert-butyl 2-carbamimidoylmorpholine-4-carboxylate

• ChemBase ID: 801654
• Molecular Formular: C10H19N3O3
• Molecular Mass: 229.27616
• Monoisotopic Mass: 229.14264148
• SMILES: C1C(OCCN1C(=O)OC(C)(C)C)C(=N)N
• Canonical SMILES: NC(=N)C1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)13-4-5-15-7(6-13)8(11)12/h7H,4-6H2,1-3H3,(H3,11,12)
• InChIKey: RHGRPKHFOBHDET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-carbamimidoylmorpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl 2-carbamimidoylmorpholine-4-carboxylate
• Synonyms: TERT-BUTYL 2-[AMINO(IMINO)METHYL]MORPHOLINE-4-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5781288
• LogD (pH = 7.4): -2.0677986
• Log P: -0.17536071
• Molar Refractivity: 69.0092 cm^3
• Polarizability: 22.948244 Å^3
• Polar Surface Area: 88.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%