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102015-85-0 | 2-Butyne-1,4-diamine, N,N'-dimethyl-N,N'-diphenyl- (6CI,9CI)
CAS No: 102015-85-0 Catalog No: AG0006C2 MDL No:
Product Description
Catalog Number:
AG0006C2
Chemical Name:
2-Butyne-1,4-diamine, N,N'-dimethyl-N,N'-diphenyl- (6CI,9CI)
CAS Number:
102015-85-0
Molecular Formula:
C18H20N2
Molecular Weight:
264.3648
IUPAC Name:
N,N'-dimethyl-N,N'-diphenylbut-2-yne-1,4-diamine
InChI:
InChI=1S/C18H20N2/c1-19(17-11-5-3-6-12-17)15-9-10-16-20(2)18-13-7-4-8-14-18/h3-8,11-14H,15-16H2,1-2H3
InChI Key:
IZPCQVBYHBDRFN-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)CC#CCN(c1ccccc1)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.372g/mol
Monoisotopic Mass:
264.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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