carbamic acid amine

• ChemBase ID: 145507
• Molecular Formular: CH6N2O2
• Molecular Mass: 78.07054
• Monoisotopic Mass: 78.04292744
• SMILES: C(=O)(N)O.N
• Canonical SMILES: NC(=O)O.N
• InChI: InChI=1S/CH3NO2.H3N/c2-1(3)4;/h2H2,(H,3,4);1H3
• InChIKey: BVCZEBOGSOYJJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbamic acid amine
• IUPAC Traditional name: carbamic acid amine
• Synonyms: Carbamic acid ammonium salt; Ammonium carbamate; 氨基甲酸 铵盐; 氨基甲酸铵

Database IDs

• CAS Number: 1111-78-0
• EC Number: 214-185-2
• MDL Number: MFCD00013010
• Beilstein Number: 3914091
• PubChem SID: 24857613; 24846393; 162239712
• PubChem CID: 12550248

CALCULATED PROPERTIES

• Acid pKa: 3.9193795
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1439128
• LogD (pH = 7.4): -3.7603624
• Log P: -0.55689126
• Molar Refractivity: 11.3204 cm^3
• Polarizability: 4.434242 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Vapor Pressure: 100 mmHg ( 26.7 °C)

Safety Information

• RTECS: EY8575000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 2 %
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5% (T); 99%
• Ignition Residue: ≤0.002% (as SO4)
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤5 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤5 mg/kg; sulfate (SO42-): ≤10 mg/kg
• Linear Formula: H2NCO2NH4

DETAILS

Sigma Aldrich - 292834

Packaging
25, 100, 500 g in glass bottle