Cas no 1241-27-6 (1,4-Cyclohexanedimethanamine,N,N'-diheptyl-, dihydrochloride, trans- (9CI))
1241-27-6 structure
Product Name:1,4-Cyclohexanedimethanamine,N,N'-diheptyl-, dihydrochloride, trans- (9CI)
CAS No:1241-27-6
MF:C22H48Cl2N2
MW:411.535924911499
CID:152561
PubChem ID:71064
Update Time:2025-04-19
1,4-Cyclohexanedimethanamine,N,N'-diheptyl-, dihydrochloride, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexanedimethanamine,N,N'-diheptyl-, dihydrochloride, trans- (9CI)
- trans-Diheptyl-1,4-cyclohexanebis(methylamine) dihydrochloride
- 1,4-Cyclohexanebis(methylamine), N,N'-diheptyl-, dihydrochloride, (E)-
- DTXSID00924732
- Heptylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, dihydrochloride, (E)-
- 1241-27-6
- N,N'-[Cyclohexane-1,4-diylbis(methylene)]di(heptan-1-amine)--hydrogen chloride (1/2)
- trans-N,N'-(1,4-Cyclohexylenedimethylene)diheptylamine dihydrochloride
-
- Inchi： 1S/C22H46N2.2ClH/c1-3-5-7-9-11-17-23-19-21-13-15-22(16-14-21)20-24-18-12-10-8-6-4-2;;/h21-24H,3-20H2,1-2H3;2*1H
- InChI Key： YLDUYUMJGFBOMT-UHFFFAOYSA-N
- SMILES： Cl.Cl.N(CCCCCCC)CC1CCC(CNCCCCCCC)CC1
Computed Properties
- Exact Mass: 410.31984
- Monoisotopic Mass: 410.319455
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 16
- Complexity: 220
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 24.1
Experimental Properties
- Boiling Point: 426.2°Cat760mmHg
- Flash Point: 257°C
- PSA: 24.06
1,4-Cyclohexanedimethanamine,N,N'-diheptyl-, dihydrochloride, trans- (9CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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