Cas no 6265-83-4 (N,N'-bis(2-chloroethyl)butanediamide)
6265-83-4 structure
Product Name:N,N'-bis(2-chloroethyl)butanediamide
CAS No:6265-83-4
MF:C8H14Cl2N2O2
MW:241.114960193634
CID:957073
PubChem ID:233983
Update Time:2025-04-19
N,N'-bis(2-chloroethyl)butanediamide Chemical and Physical Properties
Names and Identifiers
-
- N,N'-bis(2-chloroethyl)butanediamide
- chlorospirobromine; Cloruro de dibrospidio [Spanish]; 86641-76-1; Spirobromin; 3,12-bis(3'-bromo-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro< 5.2.5.2> hexadecane dichloride; n,n3-di(b-bromopropionyl)-n1,n2-dispirotripiperazinium dichloride; spirobromine; 3,12-bis(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride; Chlorure de dibrospidium [French]; Dibrospidii chloridum [Latin]; Bernsteinsaeure-di-<
- N~1~,N~4~-Bis(2-chloroethyl)butanediimidic acid
- DTXSID20978217
- 6265-83-4
- NSC33149
- NSC-33149
-
- Inchi： 1S/C8H14Cl2N2O2/c9-3-5-11-7(13)1-2-8(14)12-6-4-10/h1-6H2,(H,11,13)(H,12,14)
- InChI Key： CLRZJDMAIWRBMS-UHFFFAOYSA-N
- SMILES： ClCCNC(CCC(NCCCl)=O)=O
Computed Properties
- Exact Mass: 240.04342
- Monoisotopic Mass: 240.0432331g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 168
- 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: -0.1
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
- LogP: 1.25840
N,N'-bis(2-chloroethyl)butanediamide Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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