Home Halogens tert-butyl N-[2-amino-1-(2,3-dichlorophenyl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2,3-dichlorophenyl)ethyl]carbamate

CAS No.:
1245622-39-2
Catalog Number:
AG01BTF5
Molecular Formula:
C13H18Cl2N2O2
Molecular Weight:
305.2002
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Product Description
Catalog Number:
AG01BTF5
Chemical Name:
tert-butyl N-[2-amino-1-(2,3-dichlorophenyl)ethyl]carbamate
CAS Number:
1245622-39-2
Molecular Formula:
C13H18Cl2N2O2
Molecular Weight:
305.2002
MDL Number:
MFCD30730543
IUPAC Name:
tert-butyl N-[2-amino-1-(2,3-dichlorophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18Cl2N2O2/c1-13(2,3)19-12(18)17-10(7-16)8-5-4-6-9(14)11(8)15/h4-6,10H,7,16H2,1-3H3,(H,17,18)
InChI Key:
YUKKHANGUKIABG-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1Cl)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.199g/mol
Monoisotopic Mass:
304.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties