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1-Methyl-4-piperidone(CAS No. 1445-73-4)

1-Methyl-4-piperidone C6H11NO (cas 1445-73-4) Molecular Structure

1445-73-4 Structure

Identification and Related Records

【Name】
1-Methyl-4-piperidone
【Iupac name】
1-methylpiperidin-4-one
【CAS Registry number】
1445-73-4
【Synonyms】
4-Piperidone,1-methyl- (6CI,7CI,8CI)
1-Methyl-4-oxopiperidine
N-Methyl-4-piperidinone
NSC66491
4-Piperidinone,1-methyl-
N-Methyl-4-piperidone
【EINECS(EC#)】
215-895-5
【Molecular Formula】
C6H11NO (Products with the same molecular formula)
【Molecular Weight】
113.16
【Inchi】
InChI=1/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
【InChIKey】
HUUPVABNAQUEJW-UHFFFAOYSA-N
【Canonical SMILES】
CN1CCC(=O)CC1
【MOL File】
1445-73-4.mol

Chemical and Physical Properties

【Appearance】
clear yellow to orange liquid
【Density】
0.98
【Boiling Point】
55-58℃ (10 mmHg)
【Vapour】
0.85mmHg at 25°C
【Refractive Index】
1.46-1.462
【Flash Point】
58℃
【Water】
MISCIBLE
【Solubilities】
Miscible
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29333999
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:113.15764 [g/mol]
Molecular Formula:C6H11NO
XLogP3-AA:-0.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:113.084064
MonoIsotopic Mass:113.084064
Topological Polar Surface Area:20.3
Heavy Atom Count:8
Formal Charge:0
Complexity:90.7
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
3
【Hazard Note】

Irritant

【Safety】

Safety Information of N-Methyl-4-piperidone (CAS NO.1445-73-4):
Hazard Codes:?CorrosiveC,IrritantXi
Risk Statements: 34-10-36/37/38?
R34:Causes burns.?
R10:Flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-37/39-26?
S24/25:Avoid contact with skin and eyes.
S23:Do not breathe vapour.?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1224 3/PG 3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 3

【PackingGroup 】
III
【Transport】
UN 1224
【Specification】

?N-Methyl-4-piperidone (CAS NO.1445-73-4), its Synonyms are 4-Piperidinone,1-methyl- ; 1-Methyltetrahydropyridin-4(1H)-one- ; N-Methyl-4-piperidone ; 4-Piperidone,1-methyl- (6CI,7CI,8CI) .

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