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96%
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Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydroxide
CAS
93966-68-8
Catalog Number
ACM93966688
Category
Other Products
Molecular Weight
346.465340 [g/mol]
Molecular Formula
C23H26N2O
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Specification
Synonyms
EINECS 301-021-0, CID3023128, Dimethyl(4-((4-(dimethylamino)phenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)ammonium hydroxide, 93966-68-8
IUPAC Name
[4-[(4-dimethylaminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium hydroxide
Canonical SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[OH-]
InChI Key
WETHTEMZJSDITG-UHFFFAOYSA-M
EC Number
301-021-0
Exact Mass
346.20500
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C23H26N2O.
What are the synonyms for the compound?
The synonyms for the compound include 93966-68-8 Dimethyl(4-((4-(dimethylamino)phenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)ammonium hydroxide and ZB3Z3WF9UT DIMETHYL[4-[[4-(DIMETHYLAMINO)PHENYL]BENZYLIDENE]-2,5-CYCLOHEXADIEN-1-YLIDENE]AMMONIUM HYDROXIDE.
What is the molecular weight of the compound?
The molecular weight of the compound is 346.5 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C23H25N2.H2O/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H2/q+1;/p-1
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the heavy atom count of the compound?
The heavy atom count of the compound is 26.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 7.2 Å2.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
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