2-methylprop-2-en-1-amine hydrochloride

• ChemBase ID: 90357
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: NCC(=C)C.Cl
• Canonical SMILES: CC(=C)CN.Cl
• InChI: InChI=1S/C4H9N.ClH/c1-4(2)3-5;/h1,3,5H2,2H3;1H
• InChIKey: IOXCSDPJYGPYFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-en-1-amine hydrochloride
• IUPAC Traditional name: 2-methylprop-2-en-1-amine hydrochloride
• Synonyms: 2-Methylprop-2-en-1-amine hydrochloride; 2-Methylallylamine hydrochloride 98%; 2-Methyl-2-propen-1-amine hydrochloride; 2-Methylallylamine hydrochloride; 2-甲基烯丙基胺 盐酸盐

Database IDs

• CAS Number: 28148-54-1
• MDL Number: MFCD00012876
• PubChem SID: 24883003; 162077172
• PubChem CID: 11953772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6532416
• LogD (pH = 7.4): -1.8519697
• Log P: 0.34915224
• Molar Refractivity: 23.3635 cm^3
• Polarizability: 9.418702 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179-184 °C(lit.)

Safety Information

• Storage Warning: Irritant/Hygroscopic/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: H2C=C(CH3)CH2NH2 · HCl

DETAILS

Sigma Aldrich - 639087

Packaging
5 g in glass bottle
Application
Reactant for:
• Preparation of platinum cyclometalated N-heterocyclic carbene complexes with chiral phosphines as catalysts1
• Preparation of oxoazetidinylbutenyl acetamides via rhodium-catalyzed hydroformylation2
• Preparation of highly monodisperse polymeric particles incorporating polymerizable perylene-bisimide fluorophore3
• Additive-free chemoselective acylation with anhydrides for preparation of amides4