Cas no 91386-17-3 (2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid (non-preferred name))
![2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid (non-preferred name) structure](https://ossimg.kuujia.com/scimg/91500/91386-17-3x500.png)
91386-17-3 structure
Product Name:2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid (non-preferred name)
CAS No:91386-17-3
MF:C12H23N5O7
MW:349.340322732925
CID:1963359
PubChem ID:124628
Update Time:2025-04-21
2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid (non-preferred name) Chemical and Physical Properties
Names and Identifiers
-
- 2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid (non-preferred name)
- 2-[2-[[1-carboxy-4-(diaminomethylideneamino)-3-hydroxybutyl]amino]ethylamino]butanedioic acid
- AKOS040746006
- L-681,176
- L-Aspartic acid, N-(2-((4-((aminoiminomethyl)amino)-1-carboxy-3-hydroxybutyl)amino)ethyl)-
- (2S)-2-[2-[[1-carboxy-4-(diaminomethylideneamino)-3-hydroxybutyl]amino]ethylamino]butanedioic acid
- 91386-17-3
- L-681176
- L 681176
-
- Inchi： 1S/C12H23N5O7/c13-12(14)17-5-6(18)3-7(10(21)22)15-1-2-16-8(11(23)24)4-9(19)20/h6-8,15-16,18H,1-5H2,(H,19,20)(H,21,22)(H,23,24)(H4,13,14,17)
- InChI Key： UULSZYUKAFTXQP-UHFFFAOYSA-N
- SMILES： OC(C/N=C(\N)/N)CC(C(=O)O)NCCNC(C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 190.136
- Monoisotopic Mass: 190.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -8.2
- Topological Polar Surface Area: 221?2
Experimental Properties
- Density: 1.62g/cm3
- Boiling Point: 690.9oC at 760 mmHg
- Flash Point: 371.6oC
- Refractive Index: 1.635
- PSA: 17.07000
- LogP: 2.98930
2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid (non-preferred name) Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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