Home Amines 1013921-14-6
1013921-14-6,MFCD17171257
Catalog No.:AA0004AE
1013921-14-6 | (S)-1-(3-Aminopyrrolidin-1-yl)ethanone
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Technical Information
Catalog Number:
AA0004AE
Chemical Name:
(S)-1-(3-Aminopyrrolidin-1-yl)ethanone
CAS Number:
1013921-14-6
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD17171257
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
SMILES:
N[C@H]1CCN(C1)C(=O)C
Properties
Computed Properties
 
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  

Synonyms
 
1013921-14-6 
1-((S)-3-Amino-pyrrolidin-1-yl)-ethanone 
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 
(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 
Literature
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