Home Aminos 1-{3-[(methylamino)methyl]pyrrolidin-1-yl}hexa-2,4-dien-1-one hydrochloride

1-{3-[(methylamino)methyl]pyrrolidin-1-yl}hexa-2,4-dien-1-one hydrochloride

CAS No.:
1807938-51-7
Catalog Number:
AG01B8EV
Molecular Formula:
C12H21ClN2O
Molecular Weight:
244.7609
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Product Description
Catalog Number:
AG01B8EV
Chemical Name:
1-{3-[(methylamino)methyl]pyrrolidin-1-yl}hexa-2,4-dien-1-one hydrochloride
CAS Number:
1807938-51-7
Molecular Formula:
C12H21ClN2O
Molecular Weight:
244.7609
MDL Number:
MFCD28246491
IUPAC Name:
1-[3-(methylaminomethyl)pyrrolidin-1-yl]hexa-2,4-dien-1-one;hydrochloride
InChI:
InChI=1S/C12H20N2O.ClH/c1-3-4-5-6-12(15)14-8-7-11(10-14)9-13-2;/h3-6,11,13H,7-10H2,1-2H3;1H
InChI Key:
JUECDGDHKQVQBV-UHFFFAOYSA-N
SMILES:
CNCC1CCN(C1)C(=O)C=CC=CC.Cl
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.134g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.763g/mol
Monoisotopic Mass:
244.134g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
2  
Properties