Cas no 62150-22-5 (Heptanal, 2-[(dimethylamino)methyl]-)
62150-22-5 structure
Product Name:Heptanal, 2-[(dimethylamino)methyl]-
CAS No:62150-22-5
MF:C10H21NO
MW:171.279843091965
CID:456273
PubChem ID:12507203
Update Time:2025-04-19
Heptanal, 2-[(dimethylamino)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Heptanal, 2-[(dimethylamino)methyl]-
- 2-[(dimethylamino)methyl]heptanal
- 62150-22-5
- DTXSID70500749
-
- Inchi: 1S/C10H21NO/c1-4-5-6-7-10(9-12)8-11(2)3/h9-10H,4-8H2,1-3H3
- InChI Key: OKYYYCHEDZQKKD-UHFFFAOYSA-N
- SMILES: O=CC(CN(C)C)CCCCC
Computed Properties
- Exact Mass: 171.16243
- Monoisotopic Mass: 171.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
Heptanal, 2-[(dimethylamino)methyl]- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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