Cas no 106917-61-7 (1,3-Benzenediamine,N1-(1,1-dimethylethyl)-4-methyl-)
106917-61-7 structure
Product Name:1,3-Benzenediamine,N1-(1,1-dimethylethyl)-4-methyl-
CAS No:106917-61-7
MF:C11H18N2
MW:178.274022579193
CID:178332
PubChem ID:86270
Update Time:2025-04-19
1,3-Benzenediamine,N1-(1,1-dimethylethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine,N1-(1,1-dimethylethyl)-4-methyl-
- 1-N-tert-butyl-4-methylbenzene-1,3-diamine
- 1,3-benzenediamine, N~1~-(1,1-dimethylethyl)-4-methyl-
- 4-N-tert-Butyl-2,4-toluenediamine
- N~1~-tert-Butyl-4-methylbenzene-1,3-diamine
- 1,3-Benzenediamine, N1-(1,1-dimethylethyl)-4-methyl-
- DTXSID5073036
- SCHEMBL271790
- AKOS012208573
- 106917-61-7
-
- Inchi： 1S/C11H18N2/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7,13H,12H2,1-4H3
- InChI Key： JYBTVKOMMYMILH-UHFFFAOYSA-N
- SMILES： N(C1C=CC(C)=C(C=1)N)C(C)(C)C
Computed Properties
- Exact Mass: 178.14714
- Monoisotopic Mass: 178.146999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 160
- 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: 1.8
- Topological Polar Surface Area: 38
Experimental Properties
- Density: 1.007
- Boiling Point: 309.4°C at 760 mmHg
- Flash Point: 164.4°C
- Refractive Index: 1.578
- PSA: 38.05
- LogP: 3.44180
1,3-Benzenediamine,N1-(1,1-dimethylethyl)-4-methyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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