Home Aminos tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate

tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate

CAS No.:
112888-76-3
Catalog Number:
AG00HCG3
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$260
- +
1g
95%
1 week
United States
$594
- +
Product Description
Catalog Number:
AG00HCG3
Chemical Name:
tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate
CAS Number:
112888-76-3
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD11973652
IUPAC Name:
tert-butyl 4-(prop-2-ynylamino)benzoate
InChI:
InChI=1S/C14H17NO2/c1-5-10-15-12-8-6-11(7-9-12)13(16)17-14(2,3)4/h1,6-9,15H,10H2,2-4H3
InChI Key:
WCHCOTTZGIWYPX-UHFFFAOYSA-N
SMILES:
C#CCNc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties