Home Other Building Blocks benzyl N-(hex-5-yn-1-yl)carbamate

benzyl N-(hex-5-yn-1-yl)carbamate

CAS No.:
1446257-54-0
Catalog Number:
AG01B5GV
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
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Product Description
Catalog Number:
AG01B5GV
Chemical Name:
benzyl N-(hex-5-yn-1-yl)carbamate
CAS Number:
1446257-54-0
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD30181080
IUPAC Name:
benzyl N-hex-5-ynylcarbamate
InChI:
InChI=1S/C14H17NO2/c1-2-3-4-8-11-15-14(16)17-12-13-9-6-5-7-10-13/h1,5-7,9-10H,3-4,8,11-12H2,(H,15,16)
InChI Key:
CVYSNJHVKMVWDJ-UHFFFAOYSA-N
SMILES:
C#CCCCCNC(=O)OCc1ccccc1
Properties
Complexity:
261  
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:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties