(2H3)amine; chloro(2H)

• ChemBase ID: 146733
• Molecular Formular: ClN
• Molecular Mass: 49.4597
• Monoisotopic Mass: 48.97192669
• SMILES: N.Cl
• Canonical SMILES: N.Cl
• InChI: InChI=1S/ClH.H3N/h1H;1H3
• InChIKey: NLXLAEXVIDQMFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)amine; chloro(^2H)
• IUPAC Traditional name: (^2H₃)amine; chloro(^2H)
• Synonyms: Ammonium-d4 chloride; 氯化铵-d4

Database IDs

• CAS Number: 12015-14-4
• EC Number: 234-607-9
• MDL Number: MFCD00064508
• PubChem SID: 162240925; 24850520
• PubChem CID: 51341920

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 15.5149 cm^3
• Polarizability: 2.2600515 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 340 °C (subl.)(lit.)
• Vapor Pressure: 1 mmHg ( 160.4 °C)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36
• Safety Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 57.48 by atom % calculation
• Linear Formula: ND4Cl

DETAILS

Sigma Aldrich - 175676

Packaging
5, 10 g in glass bottle