Cas no 13734-58-2 (Pentanedioic acid,2-(aminomethyl)-)
13734-58-2 structure
Product Name:Pentanedioic acid,2-(aminomethyl)-
CAS No:13734-58-2
MF:C6H11NO4
MW:161.155842065811
CID:119881
PubChem ID:191519
Update Time:2025-04-18
Pentanedioic acid,2-(aminomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid,2-(aminomethyl)-
- DTXSID40974877
- alpha-Aminomethylglutarate
- Pentanedioic acid, 2-(aminomethyl)-
- 59472-26-3
- 2-(aminomethyl)pentanedioic acid
- Pentanedioic acid, 2-(aminomethyl)-, (+-)-
- 13734-58-2
- SCHEMBL1299867
-
- Inchi： 1S/C6H11NO4/c7-3-4(6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
- InChI Key： LFKXMUNHFXEROA-UHFFFAOYSA-N
- SMILES： OC(C(CN)CCC(=O)O)=O
Computed Properties
- Exact Mass: 161.06883
- Monoisotopic Mass: 161.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 157
- 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: -3.6
- Topological Polar Surface Area: 101?2
Experimental Properties
- Density: 1.333
- Boiling Point: 343.1°C at 760 mmHg
- Flash Point: 161.3°C
- Refractive Index: 1.515
- PSA: 100.62
- LogP: 0.21100
Pentanedioic acid,2-(aminomethyl)- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
13734-58-2 (Pentanedioic acid,2-(aminomethyl)-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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