Cas no 921772-06-7 (1,3-Pentanediamine, 2-phenyl-, (2S,3S)-)
921772-06-7 structure
Product Name:1,3-Pentanediamine, 2-phenyl-, (2S,3S)-
CAS No:921772-06-7
MF:C11H18N2
MW:178.274022579193
CID:743155
PubChem ID:71422011
Update Time:2025-04-19
1,3-Pentanediamine, 2-phenyl-, (2S,3S)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Pentanediamine, 2-phenyl-, (2S,3S)-
- (2S,3S)-2-phenylpentane-1,3-diamine
- 921772-06-7
- DTXSID80841054
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- Inchi： 1S/C11H18N2/c1-2-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,12-13H2,1H3/t10-,11+/m1/s1
- InChI Key： MDJWWYZVFCHJIF-MNOVXSKESA-N
- SMILES： N[C@@H](CC)[C@@H](C1C=CC=CC=1)CN
Computed Properties
- Exact Mass: 178.146998583g/mol
- Monoisotopic Mass: 178.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 52?2
1,3-Pentanediamine, 2-phenyl-, (2S,3S)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
921772-06-7 (1,3-Pentanediamine, 2-phenyl-, (2S,3S)-) Related Products
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