Cas no 561297-91-4 (Benzenamine, 4-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]-)
561297-91-4 structure
Product Name:Benzenamine, 4-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]-
CAS No:561297-91-4
MF:C14H22N2
MW:218.337883472443
CID:1596555
PubChem ID:80556301
Update Time:2025-04-21
Benzenamine, 4-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]-
- 4-(2-methyl-1-(pyrrolidin-1-yl)propan-2-yl)benzenamine
- 561297-91-4
- AKOS019121100
- DA-04866
-
- Inchi: 1S/C14H22N2/c1-14(2,11-16-9-3-4-10-16)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3
- InChI Key: ICXKNUWTYSRILR-UHFFFAOYSA-N
- SMILES: N1(CCCC1)CC(C)(C)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 218.17846
- Monoisotopic Mass: 218.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 29.3?2
Experimental Properties
- PSA: 29.26
Benzenamine, 4-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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