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N-Boc-4-pentyne-1-amine

CAS No.:
151978-50-6
Catalog Number:
AG0035CS
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
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Product Description
Catalog Number:
AG0035CS
Chemical Name:
N-Boc-4-pentyne-1-amine
CAS Number:
151978-50-6
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD20036287
IUPAC Name:
tert-butyl N-pent-4-ynylcarbamate
InChI:
InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChI Key:
JTPJJKZSKWNWKK-UHFFFAOYSA-N
SMILES:
C#CCCCNC(=O)OC(C)(C)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties