N-methyl(tert-butoxy)carbohydrazide; bis(ethene)

• ChemBase ID: 298112
• Molecular Formular: C10H22N2O2
• Molecular Mass: 202.29388
• Monoisotopic Mass: 202.16812795
• SMILES: CC(C)(C)OC(=O)N(C)N.C=C.C=C
• Canonical SMILES: O=C(N(N)C)OC(C)(C)C.C=C.C=C
• InChI: InChI=1S/C6H14N2O2.2C2H4/c1-6(2,3)10-5(9)8(4)7;2*1-2/h7H2,1-4H3;2*1-2H2
• InChIKey: ICFKABZIZXKALE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl(tert-butoxy)carbohydrazide; bis(ethene)
• IUPAC Traditional name: N-methyltert-butoxycarbohydrazide; bis(ethylene)
• Synonyms: tert-Butyl N-(2-aminoethyl)-N-n-propylcarbamate; N-Boc-N-n-propylethylenediamine; N-Boc-N-n-丙基乙二胺

Database IDs

• CAS Number: 105628-64-6
• MDL Number: MFCD06658368
• PubChem SID: 180683643
• PubChem CID: 73995347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.56830317
• LogD (pH = 7.4): 0.57013935
• Log P: 0.57016283
• Molar Refractivity: 39.2759 cm^3
• Polarizability: 15.138 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%