bis[(1R)-1-(naphthalen-1-yl)ethyl]amine hydrochloride

• ChemBase ID: 149833
• Molecular Formular: C24H24ClN
• Molecular Mass: 361.90706
• Monoisotopic Mass: 361.15972745
• SMILES: C[C@H](c1cccc2c1cccc2)N[C@H](C)c1cccc2c1cccc2.Cl
• Canonical SMILES: C[C@H](c1cccc2c1cccc2)N[C@@H](c1cccc2c1cccc2)C.Cl
• InChI: InChI=1S/C24H23N.ClH/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)25-18(2)22-16-8-12-20-10-4-6-14-24(20)22;/h3-18,25H,1-2H3;1H/t17-,18-;/m1./s1
• InChIKey: SESSHTRTZDHACX-JAXOOIEVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(1R)-1-(naphthalen-1-yl)ethyl]amine hydrochloride
• IUPAC Traditional name: bis[(1R)-1-(naphthalen-1-yl)ethyl]amine hydrochloride
• Synonyms: Bis[(R)-(-)-(1-naphthyl)ethyl]amine hydrochloride; 双[(R)-(-)-(1-萘基)乙基]胺 盐酸盐

Database IDs

• CAS Number: 312619-39-9
• MDL Number: MFCD00792501
• PubChem SID: 24869879; 162243995
• PubChem CID: 16213041

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8595257
• LogD (pH = 7.4): 3.6908083
• Log P: 6.0681715
• Molar Refractivity: 105.6566 cm^3
• Polarizability: 44.23347 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 280 °C (dec.)(lit.)
• Optical Rotation: [α]23/D -185°, c = 2 in methanol

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

• Purity: 98%
• Linear Formula: [C10H7CH(CH3)]2NH·HCl

DETAILS

Sigma Aldrich - 461652

Packaging
1 g in glass bottle