(S)-1-(2-Aminoethyl)-3-pyrrolidinol - CAS 540787-75-5

Catalog:	BB028488
Product Name:	(S)-1-(2-Aminoethyl)-3-pyrrolidinol
CAS:	540787-75-5
Synonyms:	(3S)-1-(2-aminoethyl)-3-pyrrolidinol; (3S)-1-(2-aminoethyl)pyrrolidin-3-ol

Technical Data

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Computed Properties

IUPAC Name:	(3S)-1-(2-aminoethyl)pyrrolidin-3-ol
Description:	(S)-1-(2-Aminoethyl)-3-pyrrolidinol (CAS# 540787-75-5) is a useful research chemical.
Molecular Weight:	130.19
Molecular Formula:	C6H14N2O
Canonical SMILES:	C1CN(CC1O)CCN
InChI:	InChI=1S/C6H14N2O/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5,7H2/t6-/m0/s1
InChI Key:	ZNLCTCNYKCENHP-LURJTMIESA-N
Boiling Point:	245.3 °C at 760 mmHg
Density:	1.103 g/cm³
LogP:	-0.35010

Publication Number	Title	Priority Date
CN-113493628-A	Quantum dot ink and preparation method of quantum dot film	20200318
WO-2019233941-A1	Tetrahydro-1 h-pyrazino[2,1 -ajisoindolylquinoline compounds for the treatment of autoimmune disease	20180605
AU-2019280728-A1	Tetrahydro-1 H-pyrazino[2,1 -ajisoindolylquinoline compounds for the treatment of autoimmune disease	20180605
TW-202016111-A	Novel tetrahydro-1H-pyrazo[2,1-a]isoindolylquinoline compound for treating autoimmune diseases	20180605
BR-112020024782-A2	tetrahydro-1h-pyrazine [2,1-a] isoindolylquinoline compounds for the treatment of autoimmune disease	20180605

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	130.110613074
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2