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1013921-14-6 | Ethanone, 1-[(3S)-3-amino-1-pyrrolidinyl]-
CAS No: 1013921-14-6 Catalog No: AG0004D6 MDL No:MFCD17171257
Product Description
Catalog Number:
AG0004D6
Chemical Name:
Ethanone, 1-[(3S)-3-amino-1-pyrrolidinyl]-
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
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
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