methan(15N)amine hydrochloride

• ChemBase ID: 134581
• Molecular Formular: CH6ClN
• Molecular Mass: 68.5114489
• Monoisotopic Mass: 68.01591177
• SMILES: C[15NH2].Cl
• Canonical SMILES: C[15NH2].Cl
• InChI: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H/i2+1
• InChIKey: NQMRYBIKMRVZLB-CGOMOMTCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methan(^1^5N)amine hydrochloride
• IUPAC Traditional name: methan(^1^5N)amine hydrochloride
• Synonyms: Methyl-d3-amine-15N hydrochloride; Methylamine-15N hydrochloride; 甲基-d3-胺-15N 盐酸盐; 甲胺-15N 盐酸盐

Database IDs

• CAS Number: 3852-22-0
• MDL Number: MFCD00084226; MFCD00213382
• PubChem SID: 162228857; 24872548
• PubChem CID: 16213463

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.6464596
• LogD (pH = 7.4): -3.147669
• Log P: -0.62545884
• Molar Refractivity: 9.9188 cm^3
• Polarizability: 4.106978 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232-234 °C(lit.)
• Mass Shift: M+1; M+4

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: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 98 atom % 15N; 99 atom % D
• Mol. Weight: mol wt 68.49 by atom % calculation; mol wt 71.48 by atom % calculation
• Linear Formula: CD315NH2 · HCl; CH315NH2·HCl

DETAILS

Sigma Aldrich - 490288

Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 607304

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.