Avanafil Impurity 42

CAT: 1299-RM-A164168-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164168-02Size:25 mg

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CAS Number

61350-65-0

Synonyms

(R) -2- (pyrrolidin-2-yl) acetic acid

Molecular Formula

C6H11NO2

Molecular Weight

129.16

Target Alternative Name

Avanafil

Product Name Synonym

(R) -2- (pyrrolidin-2-yl) acetic acid

Chemical Information

(2R)-2-Pyrrolidineacetic acid

.beta.-Homoproline is a member of pyrrolidines.

CAS Number	61350-65-0
PubChem CID	5706675
IUPAC Name	2-[(2R)-pyrrolidin-2-yl]acetic acid
Molecular Formula	C6H11NO2
Molecular Weight	129.16
XLogP	-2.4
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	114

SMILES

C1C[C@@H](NC1)CC(=O)O

InChI

InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

InChIKey

ADSALMJPJUKESW-RXMQYKEDSA-N

Chemical Structure

2D Structure

CAS: 61350-65-0

CID: 5706675

Formula: C6H11NO2

MW: 129.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.16
XLogP3	-2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	129.078978594
Monoisotopic Mass	129.078978594
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70
RM-A164197-01	Avanafil Impurity 71
RM-A164199-01	Avanafil Impurity 73
RM-A164201-01	Avanafil Impurity 74