Cas no 202650-29-1 (N~1~,N~1~,N~4~,N~4~-Tetrahexylbenzene-1,4-diamine)
202650-29-1 structure
Product Name:N~1~,N~1~,N~4~,N~4~-Tetrahexylbenzene-1,4-diamine
CAS No:202650-29-1
MF:C30H56N2
MW:444.779048919678
CID:2840430
PubChem ID:71357351
Update Time:2025-04-21
N~1~,N~1~,N~4~,N~4~-Tetrahexylbenzene-1,4-diamine Chemical and Physical Properties
Names and Identifiers
-
- N,N,N',N'-tetrahexyl-p-phenylenediamine
- N~1~,N~1~,N~4~,N~4~-Tetrahexylbenzene-1,4-diamine
- DTXSID00781428
- 1,4-Benzenediamine, N1,N1,N4,N4-tetrahexyl-
- 202650-29-1
-
- Inchi： 1S/C30H56N2/c1-5-9-13-17-25-31(26-18-14-10-6-2)29-21-23-30(24-22-29)32(27-19-15-11-7-3)28-20-16-12-8-4/h21-24H,5-20,25-28H2,1-4H3
- InChI Key： UYUHEEPTGYUKMV-UHFFFAOYSA-N
- SMILES： N(C1C=CC(=CC=1)N(CCCCCC)CCCCCC)(CCCCCC)CCCCCC
Computed Properties
- Exact Mass: 444.444349795Da
- Monoisotopic Mass: 444.444349795Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 22
- Complexity: 315
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.5
- Topological Polar Surface Area: 6.5?2
N~1~,N~1~,N~4~,N~4~-Tetrahexylbenzene-1,4-diamine Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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