3-Aminopiperidine dihydrochloride - CAS 138060-07-8

Catalog:	BB008707
Product Name:	3-Aminopiperidine dihydrochloride
CAS:	138060-07-8
Synonyms:	piperidin-3-amine;dihydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	piperidin-3-amine;dihydrochloride
Description:	3-Aminopiperidine DiHCl can be used as reactant/reagent for xanthine dipeptidyl peptidase inhibitors for treatment of type 2 diabetes.
Molecular Weight:	173.08
Molecular Formula:	C5H12N2 · 2HCl
Canonical SMILES:	C1CC(CNC1)N.Cl.Cl
InChI:	InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H
InChI Key:	GGPNYXIOFZLNKW-UHFFFAOYSA-N
Boiling Point:	241.9 °C at 760 mmHg
Purity:	98 %
Appearance:	Off-white to beige powder
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00012773
LogP:	2.33020

Publication Number	Title	Priority Date
CN-109668987-A	A kind of 3- amino piperidine dihydrochloride enantiomter measurement analysis method	20190227
CN-111285876-A	Linagliptin intermediate isomer impurity, preparation method and application thereof	20181206
WO-2019220101-A1	Kinase inhibitors	20180515
EP-3793996-A1	Kinase inhibitors	20180515
EP-3794001-A1	Intermediates and processes for the preparation of linagliptin and its salts	20180515

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Related Functional Groups

Piperidines

[362489-61-0]
(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride
[1172760-90-5]
Ethyl 1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylate
[1006334-33-3]
Ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate

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:	54
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0534038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	172.0534038
Rotatable Bond Count:	0
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0