methyl(nitroso)propylamine

• ChemBase ID: 131563
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: CCCN(C)N=O
• Canonical SMILES: CN(N=O)CCC
• InChI: InChI=1S/C4H10N2O/c1-3-4-6(2)5-7/h3-4H2,1-2H3
• InChIKey: ITBDKUCVKYSWMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(nitroso)propylamine
• IUPAC Traditional name: N-nitrosomethylpropylamine
• Synonyms: Methylpropylnitrosamine; N-Nitroso-N-methyl-N-propylamine

Database IDs

• CAS Number: 924-46-9
• MDL Number: MFCD00015428
• PubChem SID: 162225841
• PubChem CID: 13545

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.917318
• LogD (pH = 7.4): 0.9179362
• Log P: 0.9179442
• Molar Refractivity: 29.3231 cm^3
• Polarizability: 10.586163 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: UI3850000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-46
• Safety Statements: 53-23-36/37/39-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

DETAILS

Sigma Aldrich - N6010

包装
Bulk Package