CAS
418795-04-7 Purity
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418795-04-7 Purity
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3-[1,2,4]Triazol-1-yl-adamantane-1-carboxylic acid
CAS
418805-51-3
Catalog Number
ACM418805513
Category
Other Products
Molecular Weight
247.292980 [g/mol]
Molecular Formula
C13H17N3O2
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Specification
Synonyms
AG-670/31906044, 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid, 3-[1,2,4]Triazol-1-yl-adamantane-1-carboxylic acid, 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid, BAS 12739487, AC1MEL1K, CTK4I5390, MolPort-002-023-516, SBB011895, AKOS000302260, AG-F-48896, 3-(1,2,4-triazolyl)adamantanecarboxylic acid, 418805-51-3
IUPAC Name
3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Canonical SMILES
C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)O
InChI Key
NTUMBFHGMUZUBG-UHFFFAOYSA-N
Boiling Point
455ºC at 760 mmHg
Flash Point
229ºC
Density
1.61g/cm³
Exact Mass
247.13200
H-Bond Acceptor
4
H-Bond Donor
1
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