Home Aminos Carbamic acid, N-[2-[(5-methoxy-2-nitrophenyl)amino]ethyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[2-[(5-methoxy-2-nitrophenyl)amino]ethyl]-, 1,1-dimethylethyl ester

CAS No.:
947258-08-4
Catalog Number:
AG00IM0Z
Molecular Formula:
C14H21N3O5
Molecular Weight:
311.3336
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Product Description
Catalog Number:
AG00IM0Z
Chemical Name:
Carbamic acid, N-[2-[(5-methoxy-2-nitrophenyl)amino]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
947258-08-4
Molecular Formula:
C14H21N3O5
Molecular Weight:
311.3336
MDL Number:
MFCD30536402
IUPAC Name:
tert-butyl N-[2-(5-methoxy-2-nitroanilino)ethyl]carbamate
InChI:
InChI=1S/C14H21N3O5/c1-14(2,3)22-13(18)16-8-7-15-11-9-10(21-4)5-6-12(11)17(19)20/h5-6,9,15H,7-8H2,1-4H3,(H,16,18)
InChI Key:
YAFKZLBBICKMLL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NCCNC(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.148g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.338g/mol
Monoisotopic Mass:
311.148g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties