CAS 1990-90-5 3-Methyl-4-pyridinamine (HCID 74811)

Substructure search Find similar structures

Basic information

CAS: 1990-90-5
Standard SMILES: Cc1cnccc1N
InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N
Molecular formula: C6H8N2
Average molar mass: 108.14 g/mol
Monoisotopic mass: 108.06874826

Names & identifiers

Preferred name: 3-Methyl-4-pyridinamine
IUPAC: 3-methylpyridin-4-amine
English name: 3-Methyl-4-aminopyridine
Molecular formula: C6H8N2
Molecular weight: 108.14

Names & synonyms

1990-90-53-Methyl-4-aminopyridine3-Methyl-4-pyridinamineDTXSID90173676RefChem:94766DTXCID3096167217-872-53-Methylpyridin-4-amine4-Amino-3-methylpyridine4-Amino-3-picoline4-Pyridinamine, 3-methyl-Phillips 1908

Show more names

philips1908Phillips-1908-4-aminopyridine4-amino-3-picolin3-methyl-4-pyridinamin4-Amino-3-picoline HCl

3-Picoline, 4-amino-Philips 1908MFCD017044313-methyl-pyridin-4-ylamine3-methyl-4-pyridinylamine4-Amino-3-methyl pyridine3-methylpyridine-4-amine3-methyl-4 amino pyridine

Database identifiers

CAS: 1990-90-5
PubChem CID: 74811
DTXSID: DTXSID90173676
EC Number: 217-872-5
Nikkaji: J50.529C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 72

Physicochemical properties

Melting point: 106 · 106-107
Boiling point: 192.78 °C · 192.78°C (rough estimate)
Density: 0.9581 · 0.9581 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 1 · pK1: 9.43(+1) (25°C)
color: 6 H6/pet · Crystals from C6H6/pet ether
InChI: InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N
SMILES: C1=NC=CC(N)=C1C
CAS DataBase Reference: 1990 · 1990-90-5(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 5 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (20%)；Skin Irrit. 2 (60%)；Eye Irrit. 2A (60%)；Acute Tox. 4 (20%)

Safety data

wgk: WGK 3
rtecs: TJ5140000
ridadr: 2811
hs_code: 29333999
Toxicity: LD50 orl-rat: 446 mg/kg TXAPA9 21,315,72
risk_code: 23/24/25-36/37/38-34-22-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi,Xn
hazard_note: Harmful

Chemistry & industry

Applications

Uses4-Amino-3-methylpyridine is a non depolarizing muscular relaxant with antagonist effect that functions on neuromuscular transmission and in central nervous systems in rats. A central cholinergic agent.