CAS
94086-64-3 Purity
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94086-64-3 Purity
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Isopropyl 4-(4-aminophenyl)butyrate
CAS
94086-77-8
Catalog Number
ACM94086778
Category
Other Products
Molecular Weight
221.295460 [g/mol]
Molecular Formula
C13H19NO2
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Specification
Synonyms
EINECS 301-867-0, Isopropyl 4-(4-aminophenyl)butyrate, CID3023403, 94086-77-8
IUPAC Name
propan-2-yl 4-(4-aminophenyl)butanoate
SMILES
CC(C)OC(=O)CCCC1=CC=C(C=C1)N
InChI Key
FWVZCPVWNAKKJH-UHFFFAOYSA-N
Boiling Point
346.3ºC at 760mmHg
Flash Point
192.4ºC
Density
1.049g/cm³
EC Number
301-867-0
Exact Mass
221.14200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Isopropyl 4-(4-aminophenyl)butyrate?
The molecular formula of Isopropyl 4-(4-aminophenyl)butyrate is C13H19NO2.
When was the Isopropyl 4-(4-aminophenyl)butyrate structure created?
The Isopropyl 4-(4-aminophenyl)butyrate structure was created on August 8, 2005.
What is the molecular weight of Isopropyl 4-(4-aminophenyl)butyrate?
The molecular weight of Isopropyl 4-(4-aminophenyl)butyrate is 221.29 g/mol.
What is the IUPAC name of Isopropyl 4-(4-aminophenyl)butyrate?
The IUPAC name of Isopropyl 4-(4-aminophenyl)butyrate is propan-2-yl 4-(4-aminophenyl)butanoate.
What is the Canonical SMILES representation of Isopropyl 4-(4-aminophenyl)butyrate?
The Canonical SMILES representation of Isopropyl 4-(4-aminophenyl)butyrate is CC(C)OC(=O)CCCC1=CC=C(C=C1)N.
What is the CAS number of Isopropyl 4-(4-aminophenyl)butyrate?
The CAS number of Isopropyl 4-(4-aminophenyl)butyrate is 94086-77-8.
How many hydrogen bond donor counts does Isopropyl 4-(4-aminophenyl)butyrate have?
Isopropyl 4-(4-aminophenyl)butyrate has 1 hydrogen bond donor count.
What is the topological polar surface area of Isopropyl 4-(4-aminophenyl)butyrate?
The topological polar surface area of Isopropyl 4-(4-aminophenyl)butyrate is 52.3 Ų.
How many rotatable bond counts does Isopropyl 4-(4-aminophenyl)butyrate have?
Isopropyl 4-(4-aminophenyl)butyrate has 6 rotatable bond counts.
Is the compound Isopropyl 4-(4-aminophenyl)butyrate canonicalized?
Yes, the compound Isopropyl 4-(4-aminophenyl)butyrate is canonicalized.
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