Cas no 144163-44-0 (Benzenebutanol, g-amino-a-[(1S)-1-amino-2-phenylethyl]-,(aS,gS)-)
![Benzenebutanol, g-amino-a-[(1S)-1-amino-2-phenylethyl]-,(aS,gS)- structure](https://ossimg.kuujia.com/scimg/144500/144163-44-0x500.png)
144163-44-0 structure
Product Name:Benzenebutanol, g-amino-a-[(1S)-1-amino-2-phenylethyl]-,(aS,gS)-
CAS No:144163-44-0
MF:C18H24N2O
MW:284.395964622498
CID:98422
PubChem ID:10085299
Update Time:2025-04-18
Benzenebutanol, g-amino-a-[(1S)-1-amino-2-phenylethyl]-,(aS,gS)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanol, g-amino-a-[(1S)-1-amino-2-phenylethyl]-,(aS,gS)-
- (2S,3S,5S)-2,5-diamino-3-hydroxy-1,6-diphenylhexane
- (2S,3S,5S)-3-hydroxy-2,5-bisamino-1,6-diphenylhexane
- SCHEMBL2436429
- BIZHLXOOWGXFLC-BZSNNMDCSA-N
- (2s,3s,5s)-2,5-diamino-1,6-diphenyl-3-hydroxyhexane
- (2S,3S,5S)-2,5-DIAMINO-1,6-DIPHENYLHEXAN-3-OL
- Q27447191
- (alphaS,gammaS)-gamma-Amino-alpha-[(1S)-1-amino-2-phenylethyl]benzenebutanol
- DTXSID701184690
- 144163-44-0
-
- Inchi： 1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1
- InChI Key： BIZHLXOOWGXFLC-BZSNNMDCSA-N
- SMILES： O[C@H]([C@H](CC1C=CC=CC=1)N)C[C@H](CC1C=CC=CC=1)N
Computed Properties
- Exact Mass: 284.18900
- Monoisotopic Mass: 284.188863393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 72.3?2
Experimental Properties
- Density: 1.115
- Boiling Point: 484.221°C at 760 mmHg
- Flash Point: 246.648°C
- Refractive Index: 1.601
- PSA: 72.27000
- LogP: 3.27800
Benzenebutanol, g-amino-a-[(1S)-1-amino-2-phenylethyl]-,(aS,gS)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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