CAS 27854-96-2 1-(Pyridin-4-yl)ethan-1-amine (HCID 247998)

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Basic information

CAS: 27854-96-2
Standard SMILES: CC(N)c1ccncc1
InChIKey: HIZMJYQEHFJWQY-UHFFFAOYSA-N
Molecular formula: C7H10N2
Average molar mass: 122.17 g/mol
Monoisotopic mass: 122.08439832

Names & identifiers

Preferred name: 1-(Pyridin-4-yl)ethan-1-amine
IUPAC: 1-pyridin-4-ylethanamine
English name: methyl-pyridin-4-ylmethyl-amine
Molecular formula: C7H10N2
Molecular weight: 122.17

Names & synonyms

1-(Pyridin-4-Yl)Ethan-1-AmineDTXSID90950525RefChem:428581DTXCID10872452624-173-227854-96-21-(4-pyridyl)ethylamine50392-78-41-Pyridin-4-yl-ethylamine1-(pyridin-4-yl)ethanamine1-pyridin-4-ylethanamine4-(1-Aminoethyl)pyridine

Show more names

(S)-1-(Pyridin-4-yl)ethan-1-amine(S)-1-(pyridin-4-yl)ethanamine(S)-1-(4-Pyridyl)ethylaMine(1S)-1-(4-Pyridyl)ethylamine(S)-1-(4-Pyridinyl)ethylaMine(1S)-1-(pyridin-4-yl)ethan-1-amine(αS)-α-Methyl-4-pyridinemethanamine4-Pyridinemethanamine, α-methyl-, (αS)-

MFCD02245004SCHEMBL225809HMS1697I11AKOS000264434SY005514AB01160993-03(1R)-1-pyridin-4-ylethanaminealpha-Methyl-4-pyridinemethylamine

Database identifiers

CAS: 27854-96-2、50392-78-4
PubChem CID: 247998
DTXSID: DTXSID90950525
EC Number: 624-173-2

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Physicochemical properties

Boiling point: 221.1 · 221.1±15.0 °C(Predicted)
Density: 1.018 · 1.018±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.28 · 8.28±0.29(Predicted)
Appearance: Colorless to light yellow Solid-Liquid Mixture
optical activity: -26.2 ° · -26.2°(C=0.014743g/100mL, ETOH, 20°C, 589nm)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.