sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol

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

CAS No.:
21532-00-3
Catalog Number:
AG00J8AM
Molecular Formula:
C6H12N4O2
Molecular Weight:
172.1851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
94%
1 week
United States
$309
- +
Product Description
Catalog Number:
AG00J8AM
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
IUPAC Name:
1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol
InChI:
InChI=1S/C6H12N4O2/c1-3(11)5-8-9-6(4(2)12)10(5)7/h3-4,11-12H,7H2,1-2H3
InChI Key:
JOXDXBMIJJFJMN-UHFFFAOYSA-N
SMILES:
CC(c1nnc(n1N)C(O)C)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.096g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
172.188g/mol
Monoisotopic Mass:
172.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
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. Acta crystallographica. Section C, Crystal structure communications 20061101
Properties