Cas no 845752-45-6 (3,4-PYRROLIDINEDIOL, 1-(3-AMINOPROPYL)-, (3R,4R)-)
845752-45-6 structure
Product Name:3,4-PYRROLIDINEDIOL, 1-(3-AMINOPROPYL)-, (3R,4R)-
CAS No:845752-45-6
MF:C7H16N2O2
MW:160.214141845703
CID:3290246
PubChem ID:11205938
Update Time:2025-04-21
3,4-PYRROLIDINEDIOL, 1-(3-AMINOPROPYL)-, (3R,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-PYRROLIDINEDIOL, 1-(3-AMINOPROPYL)-, (3R,4R)-
- (3R,4R)-1-(3-AMINO-PROPYL)-PYRROLIDINE-3,4-DIOL
- (3R,4R)-1-(3-aminopropyl)pyrrolidine-3,4-diol
- AKOS006288305
- 845752-45-6
-
- Inchi： 1S/C7H16N2O2/c8-2-1-3-9-4-6(10)7(11)5-9/h6-7,10-11H,1-5,8H2/t6-,7-/m1/s1
- InChI Key： PWMSUVBQCZVVBB-RNFRBKRXSA-N
- SMILES： O[C@@H]1CN(CCCN)C[C@H]1O
Computed Properties
- Exact Mass: 160.121177757Da
- Monoisotopic Mass: 160.121177757Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 111
- 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: -1.8
- Topological Polar Surface Area: 69.7?2
3,4-PYRROLIDINEDIOL, 1-(3-AMINOPROPYL)-, (3R,4R)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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