Home Aminos rac-(4R,5S)-4-(aminomethyl)-1-methyl-5-phenylpyrrolidin-2-one, trans

rac-(4R,5S)-4-(aminomethyl)-1-methyl-5-phenylpyrrolidin-2-one, trans

CAS No.:
2059912-01-3
Catalog Number:
AG01C05P
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
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Product Description
Catalog Number:
AG01C05P
Chemical Name:
rac-(4R,5S)-4-(aminomethyl)-1-methyl-5-phenylpyrrolidin-2-one, trans
CAS Number:
2059912-01-3
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD28145186
IUPAC Name:
(4R,5S)-4-(aminomethyl)-1-methyl-5-phenylpyrrolidin-2-one
InChI:
InChI=1S/C12H16N2O/c1-14-11(15)7-10(8-13)12(14)9-5-3-2-4-6-9/h2-6,10,12H,7-8,13H2,1H3/t10-,12-/m1/s1
InChI Key:
VPJNCUJVFAIGTH-ZYHUDNBSSA-N
SMILES:
NC[C@H]1CC(=O)N([C@@H]1c1ccccc1)C
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties