CAS
923129-16-2 Purity
96%
923129-16-2 Purity
96%
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6,7-Dihydropyrrolo[2,1-c][1,2,4]triazole-3-methylamine 3hcl
CAS
923156-44-9
Catalog Number
ACM923156449
Category
Other Products
Molecular Weight
247.55
Molecular Formula
C6H10N4.(HCl)3
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Specification
Synonyms
(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)methylamine
IUPAC Name
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanamine
Canonical SMILES
C1CC2=NN=C(N2C1)CN
InChI Key
URJJLLGHIBAONS-UHFFFAOYSA-N
Boiling Point
332.633ºC at 760 mmHg
Flash Point
154.971ºC
Density
1.554g/cm³
Exact Mass
174.06700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C6H13Cl3N4.
What is the molecular weight of the compound?
The molecular weight of the compound is 247.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanamine;trihydrochloride.
What is the InChIKey of the compound?
The InChIKey of the compound is GGAULNFEDJBSEM-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 4 hydrogen bond donor counts in the compound.
What is the exact mass of the compound?
The exact mass of the compound is 246.020580 g/mol.
How many rotatable bond counts are there in the compound?
There is 1 rotatable bond count in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 56.7 Å2.
How many heavy atoms are present in the compound?
There are 13 heavy atoms in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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