CAS
93904-93-9 Purity
96%
93904-93-9 Purity
96%
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2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol
CAS
93904-99-5
Catalog Number
ACM93904995
Category
Other Products
Molecular Weight
240.384920 [g/mol]
Molecular Formula
C14H28N2O
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Specification
Synonyms
EINECS 299-834-8, CID11971172, 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol, 93904-99-5
IUPAC Name
2-[2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-yl]ethanol
Canonical SMILES
CCCCCCC(C)(C)C1=NCCN1CCO
InChI Key
RGSKVIGUZKNKTI-UHFFFAOYSA-N
Boiling Point
371.9ºC at 760mmHg
Flash Point
178.7ºC
Density
0.98g/cm³
EC Number
299-834-8
Exact Mass
240.22000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol?
The molecular formula is C14H28N2O.
What is the molecular weight of 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol?
The molecular weight is 240.38 g/mol.
When was 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol created and modified?
It was created on 2006-12-27 and modified on 2023-12-30.
What is the IUPAC name of 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol?
The IUPAC name is 2-[2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-yl]ethanol.
What is the Canonical SMILES of 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol?
The Canonical SMILES is CCCCCCC(C)(C)C1=NCCN1CCO.
What is the InChIKey of 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol?
The InChIKey is RGSKVIGUZKNKTI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol?
The topological polar surface area is 35.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does 2-(Dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol have?
It has 8 rotatable bond counts.
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