Cas no 5332-84-3 (1-Pentanamine,4-bromo-N,N-diethyl-, hydrobromide (1:1))
5332-84-3 structure
Product Name:1-Pentanamine,4-bromo-N,N-diethyl-, hydrobromide (1:1)
CAS No:5332-84-3
MF:C9H21Br2N
MW:303.077741384506
CID:381064
PubChem ID:19936180
Update Time:2025-04-19
1-Pentanamine,4-bromo-N,N-diethyl-, hydrobromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanamine,4-bromo-N,N-diethyl-, hydrobromide (1:1)
- 4-bromo-N,N-diethylpentan-1-amine,hydrobromide
- 4-BROMO-N, HYDROBROMIDE
- NSC564
- NSC-564
- 5332-84-3
- 4-Bromo-N,N-diethylpentan-1-amine--hydrogen bromide (1/1)
- SCHEMBL1030462
- DTXSID60601411
-
- Inchi： 1S/C9H20BrN.BrH/c1-4-11(5-2)8-6-7-9(3)10;/h9H,4-8H2,1-3H3;1H
- InChI Key： NZHRBLQDOUHAQY-UHFFFAOYSA-N
- SMILES： BrC(C)CCCN(CC)CC.Br
Computed Properties
- Exact Mass: 221.078
- Monoisotopic Mass: 301.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 81.6
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2A^2
Experimental Properties
- Density: 1.122
- Boiling Point: 229.1°C at 760 mmHg
- Flash Point: 92.3°C
- Refractive Index: 1.469
- PSA: 3.24
- LogP: 3.84990
1-Pentanamine,4-bromo-N,N-diethyl-, hydrobromide (1:1) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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