Cas no 115797-51-8 (1,6-Hexane-2,2,5,5-d4-diamine(9CI))
115797-51-8 structure
Product Name:1,6-Hexane-2,2,5,5-d4-diamine(9CI)
CAS No:115797-51-8
MF:C6H16N2
MW:120.229288101196
CID:130935
PubChem ID:71308905
Update Time:2025-04-19
1,6-Hexane-2,2,5,5-d4-diamine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Hexane-2,2,5,5-d4-diamine(9CI)
- 1,6-Hexane-2,2,5,5-d4-diamine, Hexamethylene-2,2,5,5-d4-diamine
- 2,2,5,5-tetradeuteriohexane-1,6-diamine
- 1,6-DIAMINO(HEXANE-2,2,5,5-D4)
- 115797-51-8
- DTXSID90745695
- 1,6-Diaminohexane-2,2,5,5-d4
- 1,6-Diaminohexane-2,2,5,5-d4, 98 atom % D
- (2,2,5,5-~2~H_4_)Hexane-1,6-diamine
- 1,6-Hexane-2,2,5,5-d4-diamine, Hexamethylene-2,2,5,5-d4-diamine
-
- Inchi： 1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i3D2,4D2
- InChI Key： NAQMVNRVTILPCV-KHORGVISSA-N
- SMILES： NCC([2H])([2H])CCC([2H])([2H])CN
Computed Properties
- Exact Mass: 120.156455503g/mol
- Monoisotopic Mass: 120.156455503g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 5
- Complexity: 31.5
- 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: -0.2
- Topological Polar Surface Area: 52?2
Experimental Properties
- Melting Point: 42-45?°C(lit.)
- Boiling Point: 204-205?°C(lit.)
- Flash Point: 81?°C
1,6-Hexane-2,2,5,5-d4-diamine(9CI) Security Information
- Hazardous Material transportation number：UN 2280 8/PG 3
- Hazard Category Code： 21/22-34-37
- Safety Instruction： 22-26-36/37/39-45
-
Hazardous Material Identification：
- Risk Phrases：R21/22-34-37
- Safety Term：S22-26-36/37/39-45
1,6-Hexane-2,2,5,5-d4-diamine(9CI) Related Literature
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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