N-(2-methoxyethyl)(tert-butoxy)carbohydrazide

• ChemBase ID: 141399
• Molecular Formular: C8H18N2O3
• Molecular Mass: 190.24012
• Monoisotopic Mass: 190.13174245
• SMILES: CC(C)(C)OC(=O)N(CCOC)N
• Canonical SMILES: COCCN(C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10(9)5-6-12-4/h5-6,9H2,1-4H3
• InChIKey: ZPLINMFZMSNOJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N-(2-methoxyethyl)tert-butoxycarbohydrazide
• Synonyms: 1-N-Boc-1-(2-methoxyethyl)hydrazine; 1-N-Boc-1-(2-甲氧基乙基)肼

Database IDs

• CAS Number: 957761-27-2
• MDL Number: MFCD09842768
• PubChem SID: 162235633
• PubChem CID: 58551531

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5208528
• LogD (pH = 7.4): 0.52315784
• Log P: 0.52318734
• Molar Refractivity: 50.3194 cm^3
• Polarizability: 19.530045 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 104 °C; 219.2 °F
• Density: 1.007 g/mL at 25 °C
• Refractive Index: n20/D 1.442

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H18N2O3

DETAILS

Sigma Aldrich - 687995

Packaging
5 g in glass bottle