Cas no 61694-83-5 (1,2-Ethanediamine, N-(1,1-dimethylethyl)-N-(phenylmethyl)-)
61694-83-5 structure
Product Name:1,2-Ethanediamine, N-(1,1-dimethylethyl)-N-(phenylmethyl)-
CAS No:61694-83-5
MF:C13H22N2
MW:206.327183246613
CID:469672
PubChem ID:12861881
Update Time:2025-04-19
1,2-Ethanediamine, N-(1,1-dimethylethyl)-N-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine, N-(1,1-dimethylethyl)-N-(phenylmethyl)-
- N1-tert-butyl-N1-benzylethane-1,2-diamine
- N'-benzyl-N'-tert-butylethane-1,2-diamine
- FT-0765981
- DTXSID60511763
- SCHEMBL1026555
- N-benzyl-N-(tert-butyl)ethane-1,2-diamine
- 61694-83-5
- QLLOSKPKUMWQLP-UHFFFAOYSA-N
- N~1~-Benzyl-N~1~-tert-butylethane-1,2-diamine
-
- Inchi： 1S/C13H22N2/c1-13(2,3)15(10-9-14)11-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3
- InChI Key： QLLOSKPKUMWQLP-UHFFFAOYSA-N
- SMILES： N(CC1C=CC=CC=1)(CCN)C(C)(C)C
Computed Properties
- Exact Mass: 206.17846
- Monoisotopic Mass: 206.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 166
- 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: 29.3?2
Experimental Properties
- PSA: 29.26
1,2-Ethanediamine, N-(1,1-dimethylethyl)-N-(phenylmethyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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