CAS 53460-46-1 1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane (HCID 103787)

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Basic information

CAS: 53460-46-1
Standard SMILES: CC1(C)CC2CC(C)(CN2)C1
InChIKey: FRAKHUZTNLUGPB-UHFFFAOYSA-N
Molecular formula: C10H19N
Average molar mass: 153.26 g/mol
Monoisotopic mass: 153.15174961

Names & identifiers

Preferred name: 1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane
IUPAC: 1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
English name: 1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane
Molecular formula: C10H19N
Molecular weight: 153.26

Names & synonyms

1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCTANE53460-46-11,3,3-Trimethyl-6-azabicyclo(3.2.1)octane6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-Azabicyclo(3.2.1)octane, 1,3,3-trimethyl-DTXSID30886056RefChem:72218DTXCID108941591,3,3-TABO258-569-8EINECS 258-569-8MFCD00066934

Show more names

AURORA KA-5720LABOTEST-BB LT000530303,3,5-Trimethyl-7-azabicyclo[3.2.1]octane1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane1,3,3-Trimethyl-6-azabicyclo[3.2.1]octane,97%4,4,6-Trimethyl-2,6-methanohexahydro-1H-azepine(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane(SALTDATA: FREE)

(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octanerac-(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octaneSCHEMBL55793SCHEMBL212343SCHEMBL6242412ALBB-013681SBB056751AKOS005174030

Database identifiers

CAS: 53460-46-1
PubChem CID

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 93 °C · 93°C
Boiling point: 266.22 °C · 266.22°C (rough estimate)
Density: 0.927 · 0.9270 (rough estimate)
refractive index: 1.522 · 1.5220 (estimate)
storage temp.: Store at Room Tem.
EPA Substance Registry System: 6 · 6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl- (53460-46-1)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 273 · P273-P391-P501
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.