CAS
94108-81-3 Purity
96%
94108-81-3 Purity
96%
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2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride
CAS
94108-88-0
Catalog Number
ACM94108880
Category
Other Products
Molecular Weight
248.792700 [g/mol]
Molecular Formula
C12H24N2O.HCl
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Specification
Synonyms
EINECS 302-424-4, 2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride, 94108-88-0
IUPAC Name
2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol hydrochloride
Canonical SMILES
CCCCCCCC1=NCCN1CCO.Cl
InChI Key
OQHKHHVZNBKCHE-UHFFFAOYSA-N
Boiling Point
386.4ºC at 760mmHg
Flash Point
187.5ºC
EC Number
302-424-4
Exact Mass
248.16600
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride?
The molecular formula is C12H25ClN2O.
When was this compound created and modified according to the reference?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride.
What is the InChI key for 2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride?
The InChI key is OQHKHHVZNBKCHE-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in this compound?
There are 2 hydrogen bond donor counts.
What is the exact mass of 2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride?
The exact mass is 248.1655411 g/mol.
What is the topological polar surface area of this compound?
The topological polar surface area is 35.8 Ų.
How many rotatable bond counts are there in this compound?
There are 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of 2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride?
The molecular weight is 248.79 g/mol.
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94108-95-9 Purity
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94108-95-9 Purity
96%
