N-Fmoc-3-piperidinone - CAS 672310-11-1

Catalog:	BB033220
Product Name:	N-Fmoc-3-piperidinone
CAS:	672310-11-1
Synonyms:	9H-fluoren-9-ylmethyl 3-oxopiperidine-1-carboxylate

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Computed Properties

IUPAC Name:	9H-fluoren-9-ylmethyl 3-oxopiperidine-1-carboxylate
Description:	N-Fmoc-3-piperidinone (CAS# 672310-11-1 ) is a useful research chemical.
Molecular Weight:	321.37
Molecular Formula:	C20H19NO3
Canonical SMILES:	C1CC(=O)CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI:	InChI=1S/C20H19NO3/c22-14-6-5-11-21(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19H,5-6,11-13H2
InChI Key:	ZHMRQZFSADRNCI-UHFFFAOYSA-N
Boiling Point:	510.4 ℃ at 760 mmHg
Purity:	95 %
Density:	1.255 g/cm³
Appearance:	White to yellow to tan powder
MDL:	MFCD03001740
LogP:	3.53830

Publication Number	Title	Priority Date
CN-103898177-A	Method for preparing high-chiral purity (R)-3-haloperidol and derivatives of high-chiral purity (R)-3-haloperidol	20140114
CN-103898177-B	Prepare the method for high chiral purity (R)-3-piperidine alcohols and derivative thereof	20140114
CN-103898178-A	Method for preparing highly chirally pure (S)-3-pipradrol and derivatives of highly chirally pure (S)-3-pipradrol by use of enzymic method	20140114
CN-103898178-B	Enzyme process prepares high chiral pure (S)-3-piperidine alcohols and the method for derivant thereof	20140114

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Related Functional Groups

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GHS Hazard Statement:	H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Complexity:	469
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	321.13649347
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	321.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1