Related Searches: N-Benzyl-4-piperidone, N-(tert-Butoxycarbonyl)-4-piperidone, 4-piperidone, 1-Methyl-4-piperidone, 4-piperidone monohydrate hydrochloride, View all

N-Benzyl-4-piperidone(CAS No. 3612-20-2)

N-Benzyl-4-piperidone C12H15NO (cas 3612-20-2) Molecular Structure

3612-20-2 Structure

Identification and Related Records

【Name】
N-Benzyl-4-piperidone
【Iupac name】
1-benzylpiperidin-4-one
【CAS Registry number】
3612-20-2
【Synonyms】
4-Piperidone,1-benzyl- (6CI,7CI,8CI)
1-(Phenylmethyl)-4-piperidinone
1-(Phenylmethyl)-4-piperidone
1-Benzyl-4-oxopiperidine
1-Benzyl-4-piperidinone
1-Benzyl-4-piperidone
【EINECS(EC#)】
222-782-4
【Molecular Formula】
C12H15NO (Products with the same molecular formula)
【Molecular Weight】
189.26
【Inchi】
InChI=1/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
【InChIKey】
SJZKULRDWHPHGG-UHFFFAOYSA-N
【Canonical SMILES】
C1CN(CCC1=O)CC2=CC=CC=C2
【MOL File】
3612-20-2.mol

Chemical and Physical Properties

【Appearance】
clear to yellow oilyliquid
【Density】
1.069
【Boiling Point】
114-116℃ (0.4 mmHg)
【Refractive Index】
1.539-1.54
【Flash Point】
71℃
【Water】
12 g/L (20℃)
【Solubilities】
12 g/L (20 °C)
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29333999
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:189.2536 [g/mol]
Molecular Formula:C12H15NO
XLogP3-AA:1.2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:189.115364
MonoIsotopic Mass:189.115364
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Formal Charge:0
Complexity:187
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:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:7

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R43
【Safety Statements 】
S26;S37/39
【HazardClass】
8
【Hazard Note】

Irritant

【Safety】

Safety Information of 1-Benzyl-4-piperidone (CAS NO.3612-20-2):
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-43-22-20/21/22?
20:? Harmful by inhalation?
21:? Harmful in contact with skin?
22:? Harmful if swallowed?
36:? Irritating to the eyes?
37:? Irritating to the respiratory system?
38:? Irritating to the skin?
42:? May cause sensitization by inhalation
Safety Statements: 26-36-37/39
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing??
37:? Wear suitable gloves?
39:? Wear eye/face protection?

【PackingGroup 】
II
【Transport】
OTH

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