Triptane
Properties
- Molecular formula
- C7H16
- Molar mass
- 100.20 g/mol
- Exact mass
- 100.1252 Da
- Density
- 0.6945 g/mL (at 15 °C)
- Melting point
- −25 °C
- Boiling point
- 80.8 °C
- logP
- 2.69Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H315 Causes skin irritationSkin corrosion/irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-008-00-2[3]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
464-06-2SMILES
CC(C)C(C)(C)CInChIKey
ZISSAWUMDACLOM-UHFFFAOYSA-NInChI
InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butane, 2,2,3-trimethyl-
- 2,2,3-Trimethylbutane
- Triptan
- 2,3,3-Trimethylbutane
- Trimethylbutane
- NSC 73938
Work with Triptane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
(+)-2-Amino-3,3-dimethylbutane22526-47-241 % similar
2,3,4-Trimethyl-3-pentanol3054-92-041 % similar
2-Amino-3,3-dimethylbutane3850-30-441 % similar
Pinacolyl alcohol464-07-341 % similar
(R)-3,3-Dimethyl-2-aminobutane66228-31-741 % similar
2,2,3-Trimethylpentane564-02-337 % similar
2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-835 % similar
1,1,1-Trimethoxy-2-methylpropane52698-46-133 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds