(4-methylphenyl)(phenyl)methanamine 1,4-diethenylbenzene ethenylbenzene hydrochloride

• ChemBase ID: 138204
• Molecular Formular: C32H34ClN
• Molecular Mass: 468.07206
• Monoisotopic Mass: 467.23797777
• SMILES: Cc1ccc(cc1)C(c1ccccc1)N.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.Cl
• Canonical SMILES: Cc1ccc(cc1)C(c1ccccc1)N.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.Cl
• InChI: InChI=1S/C14H15N.C10H10.C8H8.ClH/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;/h2-10,14H,15H2,1H3;3-8H,1-2H2;2-7H,1H2;1H
• InChIKey: WWIYQJITPCEFGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)(phenyl)methanamine 1,4-diethenylbenzene ethenylbenzene hydrochloride
• IUPAC Traditional name: (4-methylphenyl)(phenyl)methanamine divinylbenzene styrene hydrochloride
• Synonyms: MBHA-polystyrene; 4-Methylbenzhydrylamine polymer-bound; (α-Amino-α-p-xylyl)polystyrene crosslinked with divinylbenzene; 4-Methylbenzhydrylamine, polymer-bound; MBHA resin; MBHA 树脂; MBHA-聚苯乙烯; 与二乙烯基苯交联的(α-氨基-α-p-二甲苯基)聚苯乙烯; 聚合物键合型 4-甲基二甲苯胺; 聚合物键合型 4-甲基二苯甲基胺

Database IDs

• PubChem SID: 162232462
• PubChem CID: 71310119

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46970844
• LogD (pH = 7.4): 1.71688
• Log P: 3.3966758
• Molar Refractivity: 63.8554 cm^3
• Polarizability: 25.157047 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

• Activity: ~0.8 mmol N/g
• Particle Size: 100-200 mesh
• Crosslinking: 1 % cross-linked with divinylbenzene

DETAILS

Sigma Aldrich - 359424

Application
Resin used for the solid phase synthesis of peptide amines.1