Cas no 115797-53-0 (3,3,4,4-tetradeuteriohexane-1,6-diamine)
115797-53-0 structure
Product Name:3,3,4,4-tetradeuteriohexane-1,6-diamine
CAS No:115797-53-0
MF:C6H16N2
MW:120.229288101196
CID:2613766
PubChem ID:16217384
Update Time:2025-04-21
3,3,4,4-tetradeuteriohexane-1,6-diamine Chemical and Physical Properties
Names and Identifiers
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- 3,3,4,4-tetradeuteriohexane-1,6-diamine
- 1,6-HEXANE-3,3,4,4-D4-DIAMINE
- 1,6-DIAMINO(HEXANE-3,3,4,4-D4)
- HEXAMETHYLENE-3,3,4,4-D4-DIAMINE
- 1,6-Hexane-3,3,4,4-d4-diamine, Hexamethylene-3,3,4,4-d4-diamine
- DTXSID40584354
- DTXCID90535119
- 115797-53-0
- 1,6-Diaminohexane-3,3,4,4-d4, 98 atom % D
- (3,3,4,4-~2~H_4_)Hexane-1,6-diamine
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- Inchi： 1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i1D2,2D2
- InChI Key： NAQMVNRVTILPCV-LNLMKGTHSA-N
- SMILES： NCCC([2H])([2H])C([2H])([2H])CCN
Computed Properties
- Exact Mass: 120.156455503Da
- Monoisotopic Mass: 120.156455503Da
- 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: 80?°C
3,3,4,4-tetradeuteriohexane-1,6-diamine Security Information
- Hazardous Material transportation number：UN 2280 8/PG 3
- WGK Germany：1
- Hazard Category Code： 21/22-34-37
- Safety Instruction： 22-26-36/37/39-45
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Hazardous Material Identification：
3,3,4,4-tetradeuteriohexane-1,6-diamine Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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