Cas no 111397-40-1 (1,4-Butanediamine,N1-(3-aminopropyl)-2,2-difluoro-)
111397-40-1 structure
Product Name:1,4-Butanediamine,N1-(3-aminopropyl)-2,2-difluoro-
CAS No:111397-40-1
MF:C7H17F2N3
MW:181.226788282394
CID:198869
PubChem ID:130677
Update Time:2025-04-19
1,4-Butanediamine,N1-(3-aminopropyl)-2,2-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine,N1-(3-aminopropyl)-2,2-difluoro-
- 6,6-difluorospermidine
- N-(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
- N~1~-(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
- DTXSID60149641
- SCHEMBL6563347
- 6,6-difluoro-4-azaoctane-1,8-diamine
- 1,4-Butanediamine, N1-(3-aminopropyl)-2,2-difluoro-
- CHEMBL77442
- IETGRDVAZYBZCY-UHFFFAOYSA-N
- 111397-40-1
-
- Inchi： 1S/C7H17F2N3/c8-7(9,2-4-11)6-12-5-1-3-10/h12H,1-6,10-11H2
- InChI Key： IETGRDVAZYBZCY-UHFFFAOYSA-N
- SMILES： FC(CCN)(CNCCCN)F
Computed Properties
- Exact Mass: 181.13921
- Monoisotopic Mass: 181.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 109
- 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: -0.7
- Topological Polar Surface Area: 64.1?2
Experimental Properties
- Density: 1.058
- Boiling Point: 257.3°Cat760mmHg
- Flash Point: 109.4°C
- Refractive Index: 1.443
- PSA: 64.07
1,4-Butanediamine,N1-(3-aminopropyl)-2,2-difluoro- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
111397-40-1 (1,4-Butanediamine,N1-(3-aminopropyl)-2,2-difluoro-) Related Products
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