(4ar,8ar)-decahydro(2H18)naphthalene

• ChemBase ID: 138162
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: [C@H]12CCCC[C@H]1CCCC2
• Canonical SMILES: C1CC[C@H]2[C@@H](C1)CCCC2
• InChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
• InChIKey: NNBZCPXTIHJBJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4ar,8ar)-decahydro(^2H₁₈)naphthalene
• IUPAC Traditional name: (4ar,8ar)-(^2H₁₈)naphthalene
• Synonyms: cis-Decahydronaphthalene-d18; 顺式十氢萘-d18

Database IDs

• CAS Number: 80997-90-6
• MDL Number: MFCD00064190
• PubChem SID: 162232420
• PubChem CID: 2724146

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6668615
• LogD (pH = 7.4): 3.6668615
• Log P: 3.6668615
• Molar Refractivity: 44.103 cm^3
• Polarizability: 17.72628 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 193 °C(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 1.012 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4761(lit.)
• Mass Shift: M+18

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1147
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 19-20-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H332-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 1147 3/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 156.40
• Empirical Formula (Hill Notation): C10D18