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Substance Name: Adamantane
RN: 281-23-2
UNII: PJY633525U
InChIKey: ORILYTVJVMAKLC-UHFFFAOYSA-N

Note

  • A tricyclo bridged hydrocarbon.

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.236
 
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Names and Synonyms

Name of Substance

  • Adamantane

MeSH Heading

  • Adamantane

Synonyms

  • EC 206-001-4
  • EINECS 206-001-4
  • NSC 527913
  • UNII-PJY633525U

Systematic Names

  • Adamantane (8CI)
  • Tricyclo(3.3.1.13,7)decane

Registry Numbers

CAS Registry Number

  • 281-23-2

FDA UNII

  • PJY633525U

System Generated Number

  • 0000281232

Structure Descriptors

InChI

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

InChIKey

ORILYTVJVMAKLC-UHFFFAOYSA-N

Smiles

C12CC3CC(C1)CC(C2)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 10gm/kg (10000mg/kg)   Toksikologicheskii Vestnik. Vol. (4), Pg. 42, 1999.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Toksikologicheskii Vestnik. Vol. (4), Pg. 42, 1999.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Toksikologicheskii Vestnik. Vol. (4), Pg. 42, 1999.
rat LD50 oral > 10gm/kg (10000mg/kg)   Toksikologicheskii Vestnik. Vol. (4), Pg. 42, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 205 deg C   EXP
log P (octanol-water) 4.24 (none)   EXP
Water Solubility 6.030 mg/L 25 EST
Henry's Law Constant 0.154 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.26E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.