2,3-dihydro-1H-inden-5-amine

• ChemBase ID: 75233
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: Nc1ccc2c(c1)CCC2
• Canonical SMILES: Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2
• InChIKey: LEWZOBYWGWKNCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-5-amine
• IUPAC Traditional name: indan-5-ylamine
• Synonyms: Indan-5-amine; 5-Aminoindane; 5-Indanamine; 5-Aminoindan; 5-Aminoindane; 2,3-dihydro-1H-inden-5-amine; 5-AMINOHYDRINDENE; 5-茚胺; 5-氨基茚满; 5-氨基茚烷

Database IDs

• CAS Number: 24425-40-9
• EC Number: 246-241-7
• MDL Number: MFCD00003803
• Beilstein Number: 2082278
• PubChem SID: 24847982; 162040151
• PubChem CID: 90496

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0374515
• LogD (pH = 7.4): 2.1503556
• Log P: 2.1520054
• Molar Refractivity: 43.6396 cm^3
• Polarizability: 16.130657 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-37°C; 34 - 36°C; 34-36 °C(lit.)
• Boiling Point: 247-249 °C/745 mmHg(lit.); 248-250°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Hydrophobicity(logP): 1.928

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 36; 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H311-H302-H332
• GHS Precautionary statements: P280; P280H-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C9H11N

DETAILS

MP Biomedicals - 05215461

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 130877

Packaging
10 g in glass bottle