tert-butyl 2-{[2-(dimethylamino)ethyl]amino}acetate

• ChemBase ID: 267257
• Molecular Formular: C10H22N2O2
• Molecular Mass: 202.29388
• Monoisotopic Mass: 202.16812795
• SMILES: C(=O)(OC(C)(C)C)CNCCN(C)C
• Canonical SMILES: CN(CCNCC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8-11-6-7-12(4)5/h11H,6-8H2,1-5H3
• InChIKey: RPDAHRHFTMTASL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-{[2-(dimethylamino)ethyl]amino}acetate
• IUPAC Traditional name: tert-butyl 2-{[2-(dimethylamino)ethyl]amino}acetate
• Synonyms: tert-butyl 2-{[2-(dimethylamino)ethyl]amino}acetate

Database IDs

• MDL Number: MFCD12148666
• PubChem SID: 164323167
• PubChem CID: 47002972

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4883592
• LogD (pH = 7.4): -0.7696033
• Log P: 0.50360304
• Molar Refractivity: 57.3718 cm^3
• Polarizability: 22.965292 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.329

Product Information

• Purity: 95%