CAS 1121-58-0 4-(Methylamino)pyridine (HCID 123098)

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Basic information

CAS: 1121-58-0
Standard SMILES: CNc1ccncc1
InChIKey: LSCYTCMNCWMCQE-UHFFFAOYSA-N
Molecular formula: C6H8N2
Average molar mass: 108.14 g/mol
Monoisotopic mass: 108.06874826

Names & identifiers

Preferred name: 4-(Methylamino)pyridine
IUPAC: N-methylpyridin-4-amine
English name: N-Methyl-4-pyridinamine
Molecular formula: C6H8N2
Molecular weight: 108.14

Names & synonyms

1121-58-04-(Methylamino)pyridine4-Methylaminopyridine4-MampDTXSID50149913RefChem:525514DTXCID3072404628-413-7N-methylpyridin-4-amineN-Methyl-4-pyridinamine4-Pyridinamine, N-methyl-MFCD00152625

Show more names

methyl(4-pyridyl)amineFampridine Impurity 269Methyl-pyridin-4-yl-aminePyridine, 4-(methylamino)-4-Methylaminopyridine ,99%

Pyridine, 4-methylamino-pyridin-4yl-methylaminepyridin-4-yl-methylamine4-(methylamino) pyridineN-Methyl-4-aminopyridine4-(N-Methylamino)pyridine4-(n-methylamino)-pyridineSCHEMBL84825

Database identifiers

CAS: 1121-58-0
PubChem CID: 123098
DTXSID: DTXSID50149913
ChEMBL: CHEMBL5426680
EC Number: 628-413-7
Nikkaji: J595.380D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 57

Physicochemical properties

Melting point: 124 · 124-125 °C (lit.)
Boiling point: 100 °C/0.1 · 100 °C/0.1 mmHg (lit.)
Density: 1.0275 · 1.0275 (estimate)
refractive index: 1.556 · 1.5560 (estimate)
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Methanol
form: powder to crystal
pka: 1 · pK1:9.65(+1) (20°C)
color: White to Almost white
Water Solubility: Soluble in water, acetone, ethanol, ether and benzene.
BRN: 108213 · 108213
InChI: InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)
InChIKey: LSCYTCMNCWMCQE-UHFFFAOYSA-N
SMILES: C1=NC=CC(NC)=C1
CAS DataBase Reference: 1121 · 1121-58-0(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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.