Cas no 103697-96-7 (1,3-Benzenediamine,4-(1,1-dimethylethyl)-2(or 6)-methyl-)
103697-96-7 structure
Product Name:1,3-Benzenediamine,4-(1,1-dimethylethyl)-2(or 6)-methyl-
CAS No:103697-96-7
MF:C11H18N2
MW:178.274022579193
CID:177799
PubChem ID:113621
Update Time:2025-04-19
1,3-Benzenediamine,4-(1,1-dimethylethyl)-2(or 6)-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine,4-(1,1-dimethylethyl)-2(or 6)-methyl-
- 103490-03-5
- DTXSID2073019
- SCHEMBL1162790
- 4-tert-butyl-2-methylbenzene-1,3-diamine
- DVPHIKHMYFQLKF-UHFFFAOYSA-N
- 1,3-Benzenediamine, 4-(1,1-dimethylethyl)-2(or 6)-methyl-
- 3-tert-butyl-2,6-toluenediamine
- 103697-96-7
- 3-tertiary-butyl-2,6-toluenediamine
-
- Inchi： 1S/C11H18N2/c1-7-9(12)6-5-8(10(7)13)11(2,3)4/h5-6H,12-13H2,1-4H3
- InChI Key： DVPHIKHMYFQLKF-UHFFFAOYSA-N
- SMILES： NC1C(C)=C(C=CC=1C(C)(C)C)N
Computed Properties
- Exact Mass: 178.147
- Monoisotopic Mass: 178.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 171
- 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: 2.6
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.007
- Boiling Point: 312.2°Cat760mmHg
- Flash Point: 169.1°C
- Refractive Index: 1.568
1,3-Benzenediamine,4-(1,1-dimethylethyl)-2(or 6)-methyl- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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
103697-96-7 (1,3-Benzenediamine,4-(1,1-dimethylethyl)-2(or 6)-methyl-) Related Products
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