Structure

Ici 162,846

CAS
84545-30-2
Catalog Number
ACM84545302
Category
Other Products
Molecular Weight
306.29
Molecular Formula
C11H17F3N6O

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Specification

Synonyms
Tocris-0833, Ici 162846, CID134778, NCGC00024812-01, NCGC00024812-02, LS-128550, BRD-K66782112-001-01-2, 3-((Imino((2,2,2-trifluoroethyl)amino)methyl)amino)1H-pyrazole-1-pentamide, 1H-Pyrazole-1-pentanamide, 3-((imino((2,2,2-trifluoroethyl)amino)methyl)amino)-, 3-((Imino((2,2,2-trifluoroethyl)amino)methyl)amino)-1H-pyrazole-1-pentanamide, 5-[3-({imino[(2,2,2-trifluoroethyl)amino]methyl}amino)-1H-pyrazol-1-yl]pentanamide, 84545-30-2
IUPAC Name
5-[3-[[N-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanamide
Canonical SMILES
C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N
InChI Key
ALCSGJCIESECFD-UHFFFAOYSA-N
Boiling Point
500.4ºC at 760 mmHg
Flash Point
256.5ºC
Density
1.45g/cm³
Exact Mass
306.14200
H-Bond Acceptor
8
H-Bond Donor
3
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