Cas no 90663-77-7 (N~5~-(diaminomethylidene)-L-(5-~3~H_1_)ornithine)
90663-77-7 structure
Product Name:N~5~-(diaminomethylidene)-L-(5-~3~H_1_)ornithine
CAS No:90663-77-7
MF:C6H14N4O2
MW:174.200960636139
CID:1953167
PubChem ID:6913512
Update Time:2024-03-01
N~5~-(diaminomethylidene)-L-(5-~3~H_1_)ornithine Chemical and Physical Properties
Names and Identifiers
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- N~5~-(diaminomethylidene)-L-(5-~3~H_1_)ornithine
- (2S)-2-amino-5-(diaminomethylideneamino)-5-tritiopentanoic acid
- L-Arginine-5-t (9CI)
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- Inchi： 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
- InChI Key： ODKSFYDXXFIFQN-BYPYZUCNSA-N
- SMILES： C([C@H](N)C(=O)O)CC([H])NC(N)=N
Computed Properties
- Exact Mass: 176.1199
- Monoisotopic Mass: 176.1199
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _4.2
- Topological Polar Surface Area: 128
Experimental Properties
- Boiling Point: 409.1°C at 760 mmHg
- Flash Point: 201.2°C
N~5~-(diaminomethylidene)-L-(5-~3~H_1_)ornithine Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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