CAS
94441-97-1 Purity
96%
94441-97-1 Purity
96%
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2-(4-Neopentylphenoxy)aniline
CAS
94442-02-1
Catalog Number
ACM94442021
Category
Other Products
Molecular Weight
255.354740 [g/mol]
Molecular Formula
C17H21NO
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Specification
Synonyms
2-(4-Neopentylphenoxy)aniline, EINECS 305-328-0, CID3024359, 94442-02-1
IUPAC Name
2-[4-(2,2-dimethylpropyl)phenoxy]aniline
Canonical SMILES
CC(C)(C)CC1=CC=C(C=C1)OC2=CC=CC=C2N
InChI Key
OJQBKBWOUORGAL-UHFFFAOYSA-N
Boiling Point
354.7ºC at 760mmHg
Flash Point
156.3ºC
Density
1.043g/cm³
EC Number
305-328-0
Exact Mass
255.16200
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound 2-(4-Neopentylphenoxy)aniline according to the reference?
The molecular formula is C17H21NO.
When was the compound first created according to the reference?
The compound was first created on August 8, 2005.
What is the IUPAC name of the compound?
The IUPAC name is 2-[4-(2,2-dimethylpropyl)phenoxy]aniline.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C)(C)CC1=CC=C(C=C1)OC2=CC=CC=C2N.
What is the CAS number of the compound?
The CAS number is 94442-02-1.
What is the European Community (EC) Number of the compound?
The European Community (EC) Number is 305-328-0.
What is the UNII of the compound?
The UNII is LR1312SDI6.
What is the molecular weight of the compound?
The molecular weight is 255.35 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 2 hydrogen bond acceptors.
Is the compound canonicalized according to the reference?
Yes, the compound is canonicalized.
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