Home Other Building Blocks Benzenemethanamine, N-2-propyn-1-yl-

Benzenemethanamine, N-2-propyn-1-yl-

CAS No.:
1197-51-9
Catalog Number:
AG000PHT
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
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Product Description
Catalog Number:
AG000PHT
Chemical Name:
Benzenemethanamine, N-2-propyn-1-yl-
CAS Number:
1197-51-9
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD02731101
IUPAC Name:
N-benzylprop-2-yn-1-amine
InChI:
InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
InChI Key:
LDYBFSGEBHSTOQ-UHFFFAOYSA-N
SMILES:
C#CCNCc1ccccc1
EC Number:
214-827-1
NSC Number:
203434
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties