Cas no 49552-70-7 (1,3-Dioxolane-2-butanamine)
1,3-Dioxolane-2-butanamine structure
Product Name:1,3-Dioxolane-2-butanamine
CAS No:49552-70-7
MF:C7H15NO2
MW:145.199502229691
CID:4004493
PubChem ID:22626780
Update Time:2025-04-22
1,3-Dioxolane-2-butanamine Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-2-butanamine
- DS-020910
- MIBJULODGBNTQP-UHFFFAOYSA-N
- 4-(1,3-dioxolan-2-yl)butan-1-amine
- SCHEMBL4738398
- AKOS006311542
- 49552-70-7
- 2-(4-aminobutyl)-1,3-dioxolane
-
- Inchi： 1S/C7H15NO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6,8H2
- InChI Key： MIBJULODGBNTQP-UHFFFAOYSA-N
- SMILES： O1CCOC1CCCCN
Computed Properties
- Exact Mass: 145.110278721g/mol
- Monoisotopic Mass: 145.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 81.7
- 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
- Topological Polar Surface Area: 44.5?2
1,3-Dioxolane-2-butanamine Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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