(3S)-3-Aminopyrrolidine Dihydrochloride - CAS 116183-83-6

Catalog:	BB003723
Product Name:	(3S)-3-Aminopyrrolidine Dihydrochloride
CAS:	116183-83-6
Synonyms:	(3S)-3-pyrrolidinamine;dihydrochloride; (3S)-pyrrolidin-3-amine;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(3S)-pyrrolidin-3-amine;dihydrochloride
Description:	(3S)-3-Aminopyrrolidine Dihydrochloride (CAS# 116183-83-6) is a useful research chemical.
Molecular Weight:	159.06
Molecular Formula:	C4H10N2·2HCl
Canonical SMILES:	C1CNCC1N.Cl.Cl
InChI:	InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m0../s1
InChI Key:	NJPNCMOUEXEGBL-FHNDMYTFSA-N
Boiling Point:	214.5 °C at 760 mmHg
Appearance:	Light brown powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00070605
LogP:	1.94010

Publication Number	Title	Priority Date
EP-3518925-A1	Dual clk/cdk1 inhibitors for cancer treatment	20160930
US-2019255059-A1	Dual clk/cdk1 inhibitors for cancer treatment	20160930
WO-2018064545-A1	Dual clk/cdk1 inhibitors for cancer treatment	20160930
US-10722515-B2	Dual CLK/CDK1 inhibitors for cancer treatment	20160930
US-2020390772-A1	Dual clk/cdk1 inhibitors for cancer treatment	20160930

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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:	44.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0377538
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	158.0377538
Rotatable Bond Count:	0
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0