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21532-00-3,MFCD01924349
Catalog No.:AA00J87U

21532-00-3 | 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00J87U
Chemical Name:
1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol
CAS Number:
21532-00-3
Molecular Formula:
C6H12N4O2
Molecular Weight:
172.1851
MDL Number:
MFCD01924349
SMILES:
CC(c1nnc(n1N)C(O)C)O
Properties
Computed Properties
 
Complexity:
141  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1.2  

Literature

Title: 1:1 Adduct of (S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds.

Journal: Acta crystallographica. Section C, Crystal structure communications 20061101

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Tags:21532-00-3 Molecular Formula|21532-00-3 MDL|21532-00-3 SMILES|21532-00-3 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol
Catalog No.: AA00J87U
21532-00-3,MFCD01924349
21532-00-3 | 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00J87U
Chemical Name: 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol
CAS Number: 21532-00-3
Molecular Formula: C6H12N4O2
Molecular Weight: 172.1851
MDL Number: MFCD01924349
SMILES: CC(c1nnc(n1N)C(O)C)O
Properties
Complexity: 141  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1.2  
Literature fold

Title: 1:1 Adduct of (S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds.

Journal: Acta crystallographica. Section C, Crystal structure communications20061101

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