AG0004D6

1013921-14-6 | Ethanone, 1-[(3S)-3-amino-1-pyrrolidinyl]-

AG0004D6

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CAS Number	1013921-14-6
Catalog Number	AG0004D6(AGN-PC-0WCXIQ)
Chemical Name	Ethanone, 1-[(3S)-3-amino-1-pyrrolidinyl]-
IUPAC Name	1-[(3S)-3-aminopyrrolidin-1-yl]ethanone
InChI	InChI=1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3/t6-/m0/s1
InChI Key	QTFVAHXVSVHNQR-LURJTMIESA-N
MDL Number	MFCD17171257
Molecular Formula	C6H12N2O
Molecular Weight	128.1723
SMILES	N[C@@H]1CN(CC1)C(C)=O
Synonyms	1013921-14-6, 1-((S)-3-Amino-pyrrolidin-1-yl)-ethanone, (S)-1-(3-Aminopyrrolidin-1-yl)ethanone, 1-[(3S)-3-Aminopyrrolidin-1-yl]ethan-1-one, (S)-1-(3-Aminopyrrolidin-1-yl)ethanone hydrochloride, SCHEMBL2603683, DTXSID90693182, ZINC42684328, AKOS017517994, AM90424, 1-((S)-3-aminopyrrolidin-1-yl)ethanone, AJ-104527, Ethanone,1-[(3S)-3-amino-1-pyrrolidinyl]-, Ethanone, 1-[(3S)-3-amino-1-pyrrolidinyl]-, 1-Acetyl-(3S)-3-pyrrolidinamine HCl,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	128.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.175g/mol
Monoisotopic Mass	128.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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