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Substance Name: 2,2,3-Trimethylbutane
RN: 464-06-2
UNII: 40V943JDGR
InChIKey: ZISSAWUMDACLOM-UHFFFAOYSA-N

Molecular Formula

  • C7-H16

Molecular Weight

  • 100.203
 
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Names and Synonyms

Name of Substance

  • 2,2,3-Trimethylbutane

Synonyms

  • 2,2,3-Trimethylbutane
  • EINECS 207-346-3
  • NSC 73938
  • Triptan
  • Triptane
  • UNII-40V943JDGR

Systematic Names

  • 2,2,3-Trimethylbutane
  • Butane, 2,2,3-trimethyl-

Superlist Names

  • 2,2,3-Trimethylbutane
  • Butane, 2,2,3-trimethyl-

Registry Numbers

CAS Registry Number

  • 464-06-2

FDA UNII

  • 40V943JDGR

System Generated Number

  • 0000464062

Structure Descriptors

InChI

1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

InChIKey

ZISSAWUMDACLOM-UHFFFAOYSA-N

Smiles

C(C(C)C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.50E+01 deg C   EXP
Boiling Point 80.8 deg C   EXP
log P (octanol-water) 3.590 (none)   EST
Water Solubility 28.9 mg/L 25 EST
Vapor Pressure 102 mm Hg 25 EXP
Henry's Law Constant 2.270 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.23E-12 cm3/molecule-sec 25 EXP

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