CAS
94114-58-6 Purity
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94114-58-6 Purity
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Benzoic acid,4-amino-,propyl ester
CAS
94-12-2
Catalog Number
ACM94122
Category
Other Products
Molecular Weight
179.22
Molecular Formula
C10H13NO2
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Specification
Synonyms
Risocaine, Propylcain, Propaesin, Propesine, Raythesin, Propazyl, Propesin, Keloform P, Propyl 4-aminobenzoate, Risocainum, Risocaina, Propyl p-aminobenzoate, Propyl aminobenzoate, Propyl-p-aminobenzoate, 4-(Propoxycarbonyl)aniline, Risocaine (USAN), Propesin (6CI), Oxabiotic, component of, n-Propyl p-aminobenzoate, Risocainum [INN-Latin]
IUPAC Name
propyl 4-aminobenzoate
Canonical SMILES
CCCOC(=O)C1=CC=C(C=C1)N
InChI Key
NBFQYHKHPBMJJV-UHFFFAOYSA-N
Boiling Point
323.3ºC at 760 mmHg
Melting Point
75-80ºC
Flash Point
174.3ºC
Density
1.102g/cm³
EC Number
202-306-1
Exact Mass
179.09500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
26-36
WGK Germany
3
What is the molecular formula of Benzoic acid, 4-amino-, propyl ester?
The molecular formula of Benzoic acid, 4-amino-, propyl ester is C10H13NO2.
What is the molecular weight of Benzoic acid, 4-amino-, propyl ester?
The molecular weight of Benzoic acid, 4-amino-, propyl ester is 179.22 g/mol.
What is the IUPAC name of Benzoic acid, 4-amino-, propyl ester?
The IUPAC name of Benzoic acid, 4-amino-, propyl ester is propyl 4-aminobenzoate.
What is the InChIKey of Benzoic acid, 4-amino-, propyl ester?
The InChIKey of Benzoic acid, 4-amino-, propyl ester is NBFQYHKHPBMJJV-UHFFFAOYSA-N.
What is the Canonical SMILES of Benzoic acid, 4-amino-, propyl ester?
The Canonical SMILES of Benzoic acid, 4-amino-, propyl ester is CCCOC(=O)C1=CC=C(C=C1)N.
What is the CAS number of Benzoic acid, 4-amino-, propyl ester?
The CAS number of Benzoic acid, 4-amino-, propyl ester is 94-12-2.
What is the XLogP3 value of Benzoic acid, 4-amino-, propyl ester?
The XLogP3 value of Benzoic acid, 4-amino-, propyl ester is 2.4.
How many hydrogen bond donor counts does Benzoic acid, 4-amino-, propyl ester have?
Benzoic acid, 4-amino-, propyl ester has 1 hydrogen bond donor count.
What is the topological polar surface area of Benzoic acid, 4-amino-, propyl ester?
The topological polar surface area of Benzoic acid, 4-amino-, propyl ester is 52.3 ㎡.
How many rotatable bond counts does Benzoic acid, 4-amino-, propyl ester have?
Benzoic acid, 4-amino-, propyl ester has 4 rotatable bond counts.
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