Proparacaine Impurity 21

CAT: 1299-RM-P183521-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P183521-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1216179-28-0

Synonyms

Propyl 3-amino-4-propoxybenzoate

Molecular Formula

C13H19NO3

Molecular Weight

237.3

Target Alternative Name

Proparacaine

Product Name Synonym

Propyl 3-amino-4-propoxybenzoate

Chemical Information

Propyl 3-amino-4-propoxybenzoate

CAS Number	1216179-28-0
PubChem CID	82057356
IUPAC Name	propyl 3-amino-4-propoxybenzoate
Molecular Formula	C13H19NO3
Molecular Weight	237.29
XLogP	2.9
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	233

SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCCC)N

InChI

InChI=1S/C13H19NO3/c1-3-7-16-12-6-5-10(9-11(12)14)13(15)17-8-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3

InChIKey

GTIRGMSQSUTQHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1216179-28-0

CID: 82057356

Formula: C13H19NO3

MW: 237.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.29
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	237.13649347
Monoisotopic Mass	237.13649347
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	233
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