Adamantane

• CAS: 281-23-2
• Catalog Number: ACM281232
• Category: Alkanes
• Molecular Weight: 136.23
• Molecular Formula: C10H16
• Synonyms: Tricyclo[3.3.1.13,7]decan
• IUPAC Name: Adamantane
• Canonical SMILES: C1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
• InChI Key: ORILYTVJVMAKLC-UHFFFAOYSA-N
• Melting Point: 209-212 °C
• Density: 1.07 g/ml
• Appearance: Powder
• Complexity: 75.1
• Covalently-Bonded Unit Count: 1
• EC Number: 206-001-4
• Exact Mass: 136.125201g/mol
• Formal Charge: 0
• Hazard Statements: H317
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 10
• LogP: 4.24 (LogP)
• Monoisotopic Mass: 136.125201g/mol
• NSC Number: 527913
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Solubility In Water: Insoluble
• Symbol: GHS07
• UNII: PJY633525U
• XLogP3: 3.8

Custom Q&A

What is the PubChem CID for Adamantane?

PubChem CID: 9238

What is the molecular formula of Adamantane?

Molecular Formula: C10H16

What is the molecular weight of Adamantane?

Molecular Weight: 136.23 g/mol

What is the IUPAC Name of Adamantane?

IUPAC Name: Adamantane

What is the InChI of Adamantane?

InChI: InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

What is the InChIKey of Adamantane?

InChIKey: ORILYTVJVMAKLC-UHFFFAOYSA-N

What is the Canonical SMILES of Adamantane?

Canonical SMILES: C1C2CC3CC1CC(C2)C3

What is the CAS number of Adamantane?

CAS: 281-23-2

What is the EC number of Adamantane?

EC Number: 206-001-4

What is the ChEMBL ID of Adamantane?

ChEMBL ID: CHEMBL1230831