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Home Halogens N-BOC-1-(3-bromophenyl)ethanamine

N-BOC-1-(3-bromophenyl)ethanamine

CAS No.:
375853-98-8
Catalog Number:
AG00CKPX
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$219
- +
1g
95%
In Stock USA
United States
$469
- +
5g
95%
In Stock USA
United States
$1650
- +
Product Description
Catalog Number:
AG00CKPX
Chemical Name:
N-BOC-1-(3-bromophenyl)ethanamine
CAS Number:
375853-98-8
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD12913697
IUPAC Name:
tert-butyl N-[1-(3-bromophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18BrNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChI Key:
WWNQMGYJYMXOEU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1cccc(c1)Br)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties