8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

HCID 408394

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Basic information

CAS: 98998-25-5
Standard SMILES: CN1C2CCC1CC(N)C2
InChIKey: HJGMRAKQWLKWMH-UHFFFAOYSA-N
Molecular formula: C8H16N2
Average molar mass: 140.23 g/mol
Monoisotopic mass: 140.13134852

Names & identifiers

Preferred name: 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine
English name: 3-Aminotropane
Molecular formula: C8H16N2
Molecular weight: 140.23

Names & synonyms

8-Methyl-8-azabicyclo[3.2.1]octan-3-amineDTXSID609129138-Methyl-8-azabicyclo(3.2.1)octan-3-amineRefChem:548282DTXCID70896710674-333-098998-25-5MFCD002106993-Amino-8-methyl-8-azabicyclo[3.2.1]octane8-methyl-8-azabicyclo[3.2.1]oct-3-ylamineEthanone,2-(methylsulfonyl)-1-(2-pyridinyl)-exo-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

Show more names

3-Aminotropane8-methyl-8-azabicyclo[3.2.1]octan-3-ylamine8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-AMINE,96%8-Methyl-8-azabicyclo[3.2.1]octan-3-amine, 3-Aminotropane

8-Azabicyclo[3.2.1]octan-3-amine, 8-methyl-NSC13185SCHEMBL334182SCHEMBL2087753NSC-13185SBB021746AKOS000307828PB14179

Database identifiers

CAS: 98998-25-5
PubChem CID: 408394
DTXSID: DTXSID60912913
EC Number: 674-333-0
Nikkaji: J1.521.448A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 124 · 124-125 °C(Solv: ethyl ether (60-29-7))
Boiling point: 82 ℃/8mm · 82℃/8mm
Density: 0.99 · 0.990±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 11.03 · 11.03±0.40(Predicted)
form: solid
color: Light Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)