CAS
93859-32-6 Purity
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93859-32-6 Purity
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4-[(4-Aminophenyl)methyl]-2-isopropyl-6-propylaniline
CAS
93859-37-1
Catalog Number
ACM93859371
Category
Other Products
Molecular Weight
282.423140 [g/mol]
Molecular Formula
C19H26N2
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Specification
Synonyms
EINECS 299-374-8, CID3022736, 4-((4-Aminophenyl)methyl)-2-isopropyl-6-propylaniline, 93859-37-1
IUPAC Name
4-[(4-aminophenyl)methyl]-2-propan-2-yl-6-propylaniline
InChI Key
IAZGYMXXLFYKOE-UHFFFAOYSA-N
Boiling Point
441.1ºC at 760mmHg
Flash Point
264.4ºC
Density
1.035g/cm³
Exact Mass
282.21000
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound mentioned in the reference?
It is C19H26N2.
What is the molecular weight of the compound?
The molecular weight is 282.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[(4-aminophenyl)methyl]-2-propan-2-yl-6-propylaniline.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCC1=C(C(=CC(=C1)CC2=CC=C(C=C2)N)C(C)C)N.
What is the InChIKey of the compound?
The InChIKey is IAZGYMXXLFYKOE-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.9.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many rotatable bond counts 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 52 Ų.
Is the compound considered canonicalized?
Yes, the compound is canonicalized.
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CAS
93859-39-3 Purity
96%
93859-39-3 Purity
96%
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CAS
93859-40-6 Purity
96%
93859-40-6 Purity
96%
