(1R)-1-(naphthalen-2-yl)ethan-1-amine

• ChemBase ID: 143290
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: C[C@H](c1ccc2ccccc2c1)N
• Canonical SMILES: C[C@H](c1ccc2c(c1)cccc2)N
• InChI: InChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m1/s1
• InChIKey: KHSYYLCXQKCYQX-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(naphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(naphthalen-2-yl)ethanamine
• Synonyms: (1R)-1-(naphthalen-2-yl)ethan-1-amine; (R)-(+)-α-Methyl-2-naphthalenemethylamine; (R)-(+)-1-(2-Naphthyl)ethylamine; (R)-1-(Naphthalen-2-yl)ethanaMine; (R)-(+)-α-甲基-2-萘甲胺; (R)-(+)-1-(2-萘基)乙胺

Database IDs

• CAS Number: 3906-16-9
• MDL Number: MFCD00085367
• Beilstein Number: 3195950
• PubChem SID: 24886137; 162237511
• PubChem CID: 1798835

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49749792
• LogD (pH = 7.4): 0.3018275
• Log P: 2.505066
• Molar Refractivity: 55.4004 cm^3
• Polarizability: 23.241978 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-52°C; 47-50 °C
• Boiling Point: 90°C/0.15mm
• Flash Point: 100 °C; 212 °F
• Optical Rotation: [α]20/D +21±1°, c = 1% in methanol; +20 (c=2 in methanol)
• Hydrophobicity(logP): 2.577

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Nature polluting (N); X; Irritant (Xi)
• UN Number: UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 21/22-34; 36/37/38; 36/37/38-51/53
• Safety Statements: 26-36; 26-36/37/39-45; 26-36-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H314-H318; H315-H319-H335; H315-H319-H335-H411
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P273-P305 + P351 + P338; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.5% (GC); ≥99.0% (sum of enantiomers, GC); 95%; 98%; 99%; ChiPros 99+%, ee 99+%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.5%
• Empirical Formula (Hill Notation): C12H13N

DETAILS

Sigma Aldrich - 70940

Other Notes
Versatile chiral primary amine; studies about aldol reactions of the acetamide1; and reactions with the corresponding amidocuprate2
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 726923

Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE