3-Amino ropivacaine

CAT: 0013-GTR19281240-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19281240-01Size:10 mg

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Description

3-Amino ropivacaine is a derivative of Ropivacaine.

CAS Number

247061-08-1

Smiles

C (NC1=C (C) C (N) =CC=C1C) (=O) [C@H]2N (CCC) CCCC2

Molecular Formula

C17H27N3O

Molecular Weight

289.42

Notes

For research use only.

Chemical Information

N-(3-Amino-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide

CAS Number	247061-08-1
PubChem CID	71313352
IUPAC Name	N-(3-amino-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
Molecular Formula	C17H27N3O
Molecular Weight	289.4
XLogP	2.2
Topological Polar Surface Area	58.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	347

SMILES

CCCN1CCCCC1C(=O)NC2=C(C=CC(=C2C)N)C

InChI

InChI=1S/C17H27N3O/c1-4-10-20-11-6-5-7-15(20)17(21)19-16-12(2)8-9-14(18)13(16)3/h8-9,15H,4-7,10-11,18H2,1-3H3,(H,19,21)

InChIKey

KMKVPTQSHPZTAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 247061-08-1

CID: 71313352

Formula: C17H27N3O

MW: 289.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.4
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	289.215412493
Monoisotopic Mass	289.215412493
Topological Polar Surface Area	58.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19177118-01	Ropivacaine
GTR19161488-01	Ropivacaine
GTR19153843	Ropivacaine mesylate
GTR19160608-01	Ropivacaine hydrochloride
GTR19177119-01	Ropivacaine hydrochloride
GTR19168214-01	Ropivacaine hydrochloride monohydrate
GTR19280584-01	Ropivacaine impurity 1 hydrochloride
GTR19215286-01	3'-Amino-3'-deoxycytidine
GTR19215285-01	3'-Amino-3'-deoxyuridine
GTR19215282-01	3'-Amino-3'-deoxyadenosine

Catalog	Name
MBS6075347-01	3-Amino Ropivacaine
TRC-H953420-10MG	3-Hydroxy Ropivacaine
TRC-N520280-50MG	3-Nitro Ropivacaine
AR-R11361-01	Ropivacaine Impurity 3
AR-R11369-01	3'-Hydroxy Ropivacaine
TRC-H958000-100MG	3-Hydroxy-ropivacaine Sulfate
TRC-H953421-100MG	3-Hydroxy Ropivacaine-d4
AR-R11370-01	3'-Hydroxy Ropivacaine-d7
AR-R11372-01	3'-Hydroxy Ropivacaine Glucuronide
TRC-H959000-100MG	3-Hydroxy-ropivacaine Glucuronide