Cas no 14209-33-7 (b-Alanine, N,N'-1,4-butanediylbis-(9CI))
14209-33-7 structure
Product Name:b-Alanine, N,N'-1,4-butanediylbis-(9CI)
CAS No:14209-33-7
MF:C10H20N2O4
MW:232.276803016663
CID:156465
PubChem ID:167029
Update Time:2025-04-19
b-Alanine, N,N'-1,4-butanediylbis-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine, N,N'-1,4-butanediylbis-(9CI)
- spermic acid
- 3,3'-(butane-1,4-diyldiimino)dipropanoic acid (non-preferred name)
- beta-Alanine, N,N'-1,4-butanediylbis-
- N,N'-Bis(2-carboxyethyl)-1,4-diaminobutane
- 3,3'-(1,4-Butanediyl)bisiminobispropanoic acid
- SCHEMBL12935681
- 8F8YG49RCP
- 3-({4-[(2-CARBOXYETHYL)AMINO]BUTYL}AMINO)PROPANOIC ACID
- NSC642922
- NCI60_014506
- CHEBI:179478
- 3-[4-(2-carboxyethylamino)butylamino]propanoic acid
- 4,9-diazadodecanedioic acid
- N-(4-((2-Carboxyethyl)amino)butyl)-beta-alanine hydrochloride
- Tetramethylenediamine-N,N'-dipropionate
- 14209-33-7
- DTXSID501317875
- 1,4-Butanediamine-N,N'-dipropanoate
- N,N'-1,4-Butanediylbis[beta-alanine]
- Propionic acid, 3,3'-(tetramethylenediimino)di-
- Spermic acid 2
- CHEMBL2010404
- 1,4-Butanediamine-N,N'-dipropanoic acid
- 3-(4-(3-HYDROXY-3-OXOPROPYLAMINO)BUTYLAMINO)PROPANOIC ACID
- Tetramethylenediamine-N,N'-dipropionic acid
-
- Inchi： 1S/C10H20N2O4/c13-9(14)3-7-11-5-1-2-6-12-8-4-10(15)16/h11-12H,1-8H2,(H,13,14)(H,15,16)
- InChI Key： DGMOQCHIPOPXEK-UHFFFAOYSA-N
- SMILES： OC(CCNCCCCNCCC(=O)O)=O
Computed Properties
- Exact Mass: 232.1424
- Monoisotopic Mass: 232.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 187
- 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: -5.5
- Topological Polar Surface Area: 98.7?2
Experimental Properties
- Density: 1.158
- Boiling Point: 460°Cat760mmHg
- Flash Point: 232°C
- Refractive Index: 1.497
- PSA: 98.66
b-Alanine, N,N'-1,4-butanediylbis-(9CI) Related Literature
-
K. Shubham,L. Vinay,P. K. Vinod Mol. BioSyst. 2017 13 1898
14209-33-7 (b-Alanine, N,N'-1,4-butanediylbis-(9CI)) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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