Home Carbonyls 4-(dimethylamino)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid hydrochloride

4-(dimethylamino)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid hydrochloride

CAS No.:
2137488-99-2
Catalog Number:
AG01EKHH
Molecular Formula:
C21H25ClN2O4
Molecular Weight:
404.8872
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Product Description
Catalog Number:
AG01EKHH
Chemical Name:
4-(dimethylamino)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid hydrochloride
CAS Number:
2137488-99-2
Molecular Formula:
C21H25ClN2O4
Molecular Weight:
404.8872
MDL Number:
MFCD31559106
IUPAC Name:
4-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;hydrochloride
InChI:
InChI=1S/C21H24N2O4.ClH/c1-23(2)12-11-19(20(24)25)22-21(26)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;/h3-10,18-19H,11-13H2,1-2H3,(H,22,26)(H,24,25);1H
InChI Key:
IGPLUYKTTNIXDC-UHFFFAOYSA-N
SMILES:
CN(CCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C.Cl
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.15g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
404.891g/mol
Monoisotopic Mass:
404.15g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties