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Tert-butyl 4-amino-3-(trifluoromethyl)piperidine-1-carboxylate

Tert-butyl 4-amino-3-(trifluoromethyl)piperidine-1-carboxylate - CAS 1255098-67-9

Catalog:	BB054454
Product Name:	Tert-butyl 4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CAS:	1255098-67-9
Synonyms:	4-amino-3-trifluoromethyl-piperidine-1-carboxylic acid tert-butyl ester; 1-BOC-3-trifluoromethyl-4-aminopiperidine

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
Molecular Weight:	268.28
Molecular Formula:	C11H19F3N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C(C1)C(F)(F)F)N
InChI:	InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-8(15)7(6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3
InChI Key:	LGIQYBKJHLHGST-UHFFFAOYSA-N
Boiling Point:	282.7±40.0 °C at 760 mmHg
Density:	1.2±0.1 g/cm3

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Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.13986234
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.13986234
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7