Cas no 75956-76-2 (1,4-Benzenediamine, N,N''-1,3-propanediylbis[N-methyl-)
75956-76-2 structure
Product Name:1,4-Benzenediamine, N,N''-1,3-propanediylbis[N-methyl-
CAS No:75956-76-2
MF:C17H24N4
MW:284.399263381958
CID:1780020
PubChem ID:20281023
Update Time:2025-04-21
1,4-Benzenediamine, N,N''-1,3-propanediylbis[N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-N-[3-(4-amino-N-methylanilino)propyl]-4-N-methylbenzene-1,4-diamine
- SCHEMBL10955815
- N~1~,N~1'~-(Propane-1,3-diyl)bis(N~1~-methylbenzene-1,4-diamine)
- DTXSID40604602
- 75956-76-2
- 1,4-Benzenediamine, N,N''-1,3-propanediylbis[N-methyl-
-
- Inchi： 1S/C17H24N4/c1-20(16-8-4-14(18)5-9-16)12-3-13-21(2)17-10-6-15(19)7-11-17/h4-11H,3,12-13,18-19H2,1-2H3
- InChI Key： BSYCAAPMENQDGM-UHFFFAOYSA-N
- SMILES： N(C)(C1C=CC(=CC=1)N)CCCN(C)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 284.20032
- Monoisotopic Mass: 284.20009678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 253
- 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: 2.9
- Topological Polar Surface Area: 58.5?2
Experimental Properties
- PSA: 58.52
1,4-Benzenediamine, N,N''-1,3-propanediylbis[N-methyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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