1,3-Dimethyl-4-piperidone - CAS 4629-80-5

Catalog:	BB026112
Product Name:	1,3-Dimethyl-4-piperidone
CAS:	4629-80-5
Synonyms:	1,3-dimethyl-4-piperidinone; 1,3-dimethylpiperidin-4-one

Technical Data

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Computed Properties

IUPAC Name:	1,3-dimethylpiperidin-4-one
Description:	1,3-Dimethyl-4-piperidone (CAS# 4629-80-5) is a useful research chemical.
Molecular Weight:	127.18
Molecular Formula:	C7H13NO
Canonical SMILES:	CC1CN(CCC1=O)C
InChI:	InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
InChI Key:	BGDGMIWDPMJYPP-UHFFFAOYSA-N
Boiling Point:	191.8 °C at 760 mmHg
Density:	0.949 g/cm³
MDL:	MFCD00100893
LogP:	0.46500

Publication Number	Title	Priority Date
CN-111422843-A	Synthesis method of molecular sieve	20190109
CN-111422843-B	Synthesis method of molecular sieve	20190109
AU-2018321546-A1	Compounds, salts thereof and methods for treatment of diseases	20170821
CA-3071644-A1	Compounds, salts thereof and methods for treatment of diseases	20170821
CN-111132976-A	Compounds, salts thereof and methods for treating diseases	20170821

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Related Functional Groups

Piperidones

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.099714038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3