CAS
97375-11-6 Purity
96%
97375-11-6 Purity
96%
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4-(1-Methyl-2-phenylethyl)-N-phenylaniline
CAS
97375-16-1
Catalog Number
ACM97375161
Category
Other Products
Molecular Weight
287.398140 [g/mol]
Molecular Formula
C21H21N
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Specification
Synonyms
EINECS 306-671-9, CID3024845, 4-(1-Methyl-2-phenylethyl)-N-phenylaniline, 97375-16-1
IUPAC Name
N-phenyl-4-(1-phenylpropan-2-yl)aniline
Canonical SMILES
CC(CC1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=CC=C3
InChI Key
KCCZEHRZIJVJCU-UHFFFAOYSA-N
Boiling Point
416.2ºC at 760mmHg
Flash Point
215ºC
Density
1.079g/cm³
EC Number
306-671-9
Exact Mass
287.16700
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 3024845?
The molecular formula of the compound is C21H21N.
What is the molecular weight of the compound?
The molecular weight is 287.4 g/mol.
What are some synonyms for the compound?
Some synonyms include 97375-16-1, N-phenyl-4-(1-phenylpropan-2-yl)aniline, and N-phenyl-4-(1-phenyl-2-propanyl)aniline.
When was the compound created in PubChem?
The compound was created on August 8, 2005.
What is the InChIKey of the compound?
The InChIKey is KCCZEHRZIJVJCU-UHFFFAOYSA-N.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 287.167399674 g/mol.
How many rotatable bond count does the compound have?
The compound has 5 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 122.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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