Benzocaine EP Impurity D

CAT: 1299-RM-B052804-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B052804-01Size:10 mg

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CAS Number

87-25-2

Synonyms

Ethyl 2-aminobenzoate

Molecular Formula

C9H11NO2

Molecular Weight

165.19

Target Alternative Name

Benzocaine

Product Name Synonym

Ethyl 2-aminobenzoate

Chemical Information

Ethyl 2-aminobenzoate

Ethyl 2-aminobenzoate is a benzoate ester.

CAS Number	87-25-2
PubChem CID	6877
IUPAC Name	ethyl 2-aminobenzoate
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	2.6
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CCOC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3

InChIKey

TWLLPUMZVVGILS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87-25-2

CID: 6877

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-B052801-01	Benzocaine EP Impurity A
RM-B052806-01	Benzocaine EP Impurity F
RM-B052808-01	Benzocaine EP Impurity H
RM-B052803-01	Benzocaine EP Impurity C
RM-M091403-01	Mianserin Hydrochloride EP Impurity C; Benzocaine EP Impurity B
RG-A130963-01	Oxybuprocaine Hydrochloride EP Impurity A; Benzocaine EP Impurity G; Tetracaine Hydrochloride EP Impurity A
RG-N200100-01	4-Nitrobenzoic Acid; Benzocaine EP Impurity E
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-C201214-01	Citalopram EP Impurity D; Escitalopram EP Impurity D
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D

Catalog	Name
TRC-B299110-250MG	Benzocaine Impurity 6
AR-B00966-01	Benzocaine Impurity 1
AR-B05770-01	Benzocaine hydroxybenzoate impurity
AR-B08246-01	Benzocaine Impurity 11
AR-B00965-01	Benzocaine Impurity II
AR-B06593-01	Benzocaine Impurity 9
AR-B06588-01	Benzocaine Impurity 5
AR-B08247-01	Benzocaine Impurity 12
AR-B06592-01	Benzocaine Impurity 7
AR-B06590-01	Benzocaine Impurity 8