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116491-51-1 | Benzenamine, 2-(3,3-dimethyl-1-butyn-1-yl)-
CAS No: 116491-51-1 Catalog No: AG000CMX MDL No:
Product Description
Catalog Number:
AG000CMX
Chemical Name:
Benzenamine, 2-(3,3-dimethyl-1-butyn-1-yl)-
CAS Number:
116491-51-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
2-(3,3-dimethylbut-1-ynyl)aniline
InChI:
InChI=1S/C12H15N/c1-12(2,3)9-8-10-6-4-5-7-11(10)13/h4-7H,13H2,1-3H3
InChI Key:
SMULJKWKGCGBMW-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C#CC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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