Cas no 58754-71-5 (1,2-Propanediol,3-(4-aminophenoxy)-)
58754-71-5 structure
Product Name:1,2-Propanediol,3-(4-aminophenoxy)-
CAS No:58754-71-5
MF:C9H13NO3
MW:183.204422712326
CID:372897
PubChem ID:459260
Update Time:2025-04-19
1,2-Propanediol,3-(4-aminophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(4-aminophenoxy)-
- 3-(p-Aminophenoxy)-1,2-propanediol
- 3-(4-aminophenoxy)propane-1,2-diol
- AKOS011550302
- SCHEMBL656178
- UVXFYVIGAUPIOP-UHFFFAOYSA-N
- 3-(4-Aminophenoxy)-1,2-propanediol
- DTXSID40974276
- 58754-71-5
- BRN 2937920
- 4-(2,3-dihydroxypropoxy)aniline
- 1,2-Propanediol, 3-(4-aminophenoxy)-
-
- Inchi： 1S/C9H13NO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6,10H2
- InChI Key： UVXFYVIGAUPIOP-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)N)CC(CO)O
Computed Properties
- Exact Mass: 183.08959
- Monoisotopic Mass: 183.089543
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 135
- 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
- Topological Polar Surface Area: 75.7
- XLogP3: -0.1
Experimental Properties
- Density: 1.271
- Boiling Point: 418.8°Cat760mmHg
- Flash Point: 207.1°C
- Refractive Index: 1.602
- PSA: 75.71
1,2-Propanediol,3-(4-aminophenoxy)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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