Cas no 3217-03-6 (3,6,9,12,15-Pentaazaheptadecane-1,17-diol)
3217-03-6 structure
Product Name:3,6,9,12,15-Pentaazaheptadecane-1,17-diol
CAS No:3217-03-6
MF:C12H31N5O2
MW:277.406842470169
CID:313075
PubChem ID:76686
Update Time:2025-04-19
3,6,9,12,15-Pentaazaheptadecane-1,17-diol Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12,15-Pentaazaheptadecane-1,17-diol
- 3217-03-6
- 7N3RSN2V55
- SCHEMBL16041149
- 2-[2-[2-[2-[2-(2-hydroxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethanol
- EINECS 221-739-7
- DTXSID90185951
- NS00046274
-
- Inchi： 1S/C12H31N5O2/c18-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-12-19/h13-19H,1-12H2
- InChI Key： CKNOMPZYERDMTR-UHFFFAOYSA-N
- SMILES： OCCNCCNCCNCCNCCNCCO
Computed Properties
- Exact Mass: 277.24803
- Monoisotopic Mass: 277.247775
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 16
- Complexity: 147
- 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
- Topological Polar Surface Area: 101
- XLogP3: -3.3
Experimental Properties
- Density: 1.044
- Boiling Point: 459.4°Cat760mmHg
- Flash Point: 128.7°C
- Refractive Index: 1.504
- PSA: 100.61
3,6,9,12,15-Pentaazaheptadecane-1,17-diol Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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