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116233-13-7 | Benzenamine, 3,4-bis(1-methylethyl)-
CAS No: 116233-13-7 Catalog No: AG000BZZ MDL No:
Product Description
Catalog Number:
AG000BZZ
Chemical Name:
Benzenamine, 3,4-bis(1-methylethyl)-
CAS Number:
116233-13-7
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
IUPAC Name:
3,4-di(propan-2-yl)aniline
InChI:
InChI=1S/C12H19N/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-9H,13H2,1-4H3
InChI Key:
YQBCQWYZOXZDAI-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(C)C)C(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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