Cas no 223797-03-3 (Benzenamine,3-(hexahydro-1H-1,4-diazepin-1-yl)-)
223797-03-3 structure
Product Name:Benzenamine,3-(hexahydro-1H-1,4-diazepin-1-yl)-
CAS No:223797-03-3
MF:C11H17N3
MW:191.272782087326
CID:244647
PubChem ID:22478590
Update Time:2025-04-19
Benzenamine,3-(hexahydro-1H-1,4-diazepin-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3-(hexahydro-1H-1,4-diazepin-1-yl)-
- 1-(3-Aminophenyl)-homopiperazine
- 3-(1,4-Diazepan-1-yl)aniline
- 3-[1,4]Diazepan-1-yl-phenylamine
- AG-E-63556
- CTK4E9346
- D67179
- SureCN116919
- SCHEMBL116919
- AKOS006331269
- 223797-03-3
- DTXSID20625996
-
- Inchi： 1S/C11H17N3/c12-10-3-1-4-11(9-10)14-7-2-5-13-6-8-14/h1,3-4,9,13H,2,5-8,12H2
- InChI Key： RAOIDXGYKMOZET-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=C(C=2)N)CCNCCC1
Computed Properties
- Exact Mass: 191.14241
- Monoisotopic Mass: 191.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 172
- 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
- Topological Polar Surface Area: 41.3A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.076
- Boiling Point: 388.3°Cat760mmHg
- Flash Point: 188.7°C
- Refractive Index: 1.574
- PSA: 41.29
Benzenamine,3-(hexahydro-1H-1,4-diazepin-1-yl)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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