Cas no 33422-66-1 (L-Threonine,N-[(1H-purin-6-ylamino)carbonyl]- (9CI))
![L-Threonine,N-[(1H-purin-6-ylamino)carbonyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/33500/33422-66-1x500.png)
33422-66-1 structure
Product Name:L-Threonine,N-[(1H-purin-6-ylamino)carbonyl]- (9CI)
CAS No:33422-66-1
MF:C10H12N6O4
MW:280.240080833435
CID:309105
PubChem ID:584483
Update Time:2025-04-19
L-Threonine,N-[(1H-purin-6-ylamino)carbonyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Threonine,N-[(1H-purin-6-ylamino)carbonyl]- (9CI)
- N-(Purin-6-ylcarbamoyl)-L-threonine
- N-(7(9)H-purin-6-ylcarbamoyl)-threonine
- N-(Purin-6-ylcarbamoyl)threonin
- N-(purin-6-ylcarbamoyl)threonine
- N-[(1H-Purin-6-yl)carbamoyl]-L-threonine
- N-{Hydroxy[(9H-purin-6-yl)amino]methylidene}threonine
- NSC144743
- NSC-144743
- DTXSID20955048
- 33422-66-1
- L-Threonine, N-[(1H-purin-6-ylamino)carbonyl]-
- 3-hydroxy-2-(7H-purin-6-ylcarbamoylamino)butanoic acid
-
- Inchi： 1S/C10H12N6O4/c1-4(17)5(9(18)19)15-10(20)16-8-6-7(12-2-11-6)13-3-14-8/h2-5,17H,1H3,(H,18,19)(H3,11,12,13,14,15,16,20)
- InChI Key： LRLURXLUACWPAF-UHFFFAOYSA-N
- SMILES： OC(C)C(C(=O)O)NC(NC1=C2C(=NC=N1)N=CN2)=O
Computed Properties
- Exact Mass: 280.09216
- Monoisotopic Mass: 280.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 381
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 153?2
Experimental Properties
- Density: 1.689
- Boiling Point: 674°Cat760mmHg
- Flash Point: 361.5°C
- Refractive Index: 1.793
- PSA: 148.1
- LogP: -0.22770
L-Threonine,N-[(1H-purin-6-ylamino)carbonyl]- (9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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