phenylmethanamine hydrochloride

• ChemBase ID: 84800
• Molecular Formular: C7H10ClN
• Molecular Mass: 143.614
• Monoisotopic Mass: 143.05017701
• SMILES: Cl.NCc1ccccc1
• Canonical SMILES: NCc1ccccc1.Cl
• InChI: InChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
• InChIKey: XKXHCNPAFAXVRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmethanamine hydrochloride
• IUPAC Traditional name: benzylamine hydrochloride
• Synonyms: Benzylamine hydrochloride; Phenylmethanamine hydrochloride; benzylamine hydrochloride; 苯甲胺; 苄胺 盐酸盐

Database IDs

• CAS Number: 3287-99-8
• EC Number: 221-943-6
• MDL Number: MFCD00012852
• PubChem SID: 24891809; 162071916
• PubChem CID: 2724127

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.890384
• LogD (pH = 7.4): -0.9633724
• Log P: 1.0990143
• Molar Refractivity: 34.5314 cm^3
• Polarizability: 13.75059 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262-263 °C(lit.)

Safety Information

• RTECS: DP5425000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; R:36/37/38
• Safety Statements: 26-36/37/39; S:20-25-26-37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05215261

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B5136

包装
25, 100 g in poly bottle