Home Other Building Blocks 3-ethynyl-N-(propan-2-yl)aniline

3-ethynyl-N-(propan-2-yl)aniline

CAS No.:
1021135-59-0
Catalog Number:
AG01AAFR
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
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Product Description
Catalog Number:
AG01AAFR
Chemical Name:
3-ethynyl-N-(propan-2-yl)aniline
CAS Number:
1021135-59-0
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD11138242
IUPAC Name:
3-ethynyl-N-propan-2-ylaniline
InChI:
InChI=1S/C11H13N/c1-4-10-6-5-7-11(8-10)12-9(2)3/h1,5-9,12H,2-3H3
InChI Key:
CTRKEMNNTVYILZ-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NC(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties