CAS
94138-72-4 Purity
96%
94138-72-4 Purity
96%
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2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1H-imidazole-1-ethylamine monoacetate
CAS
94138-78-0
Catalog Number
ACM94138780
Category
Other Products
Molecular Weight
405.617120 [g/mol]
Molecular Formula
C22H39N3.C2H4O2
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Specification
Synonyms
EINECS 302-992-3, 2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1H-imidazole-1-ethylamine monoacetate, 94138-78-0
IUPAC Name
acetic acid; 2-[2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILES
CCC=CCC=CCC=CCCCCCCCC1=NCCN1CCN.CC(=O)O
InChI Key
DXFFLRRICLDYFP-ICUOVBAUSA-N
EC Number
302-992-3
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C24H43N3O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 405.6 g/mol.
What are the synonyms of the compound?
The synonyms of the compound are EINECS 302-992-3 and 2-(Heptadeca-8,11,14-trienyl)-4,5-dihydro-1H-imidazole-1-ethylamine monoacetate.
When was the compound created and last modified?
The compound was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is acetic acid;2-[2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the InChIKey of the compound?
The InChIKey of the compound is DXFFLRRICLDYFP-ICUOVBAUSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 15.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 78.9 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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