2-phenylethan-1-amine hydrochloride

• ChemBase ID: 111008
• Molecular Formular: C8H12ClN
• Molecular Mass: 157.64058
• Monoisotopic Mass: 157.06582707
• SMILES: Cl.NCCc1ccccc1
• Canonical SMILES: NCCc1ccccc1.Cl
• InChI: InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
• InChIKey: SKHIBNDAFWIOPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylethan-1-amine hydrochloride
• IUPAC Traditional name: 2-phenylethylamine hydrochloride
• Synonyms: β-Phenylethylamine hydrochloride; Phenethylamine hydrochloride; 2-Phenylethylamine hydrochloride; 2-Phenylethanamine hydrochloride; β-PHENYLETHYLAMINE HYDROCHLORIDE; β-苯乙胺 盐酸盐; 苯乙胺 盐酸盐; 2-苯乙胺 盐酸盐

Database IDs

• CAS Number: 156-28-5
• EC Number: 205-849-2
• MDL Number: MFCD00012893
• Beilstein Number: 3624163
• PubChem SID: 162097036; 24898772
• PubChem CID: 9075

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6221586
• LogD (pH = 7.4): -0.9164991
• Log P: 1.3876754
• Molar Refractivity: 39.2864 cm^3
• Polarizability: 15.517892 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-222 °C(lit.)

Safety Information

• RTECS: SH7175000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:36
• Safety Statements: 26-36; S:26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98%; ≥99.0% (AT); 95+%; 99%
• Grade: purum
• Linear Formula: C6H5CH2CH2NH2 · HCl

DETAILS

MP Biomedicals - 05217380

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P6513

Packaging
25, 100 g in glass bottle