Avanafil Impurity 28

CAT: 1299-RM-A164154-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164154-02Size:25 mg

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CAS Number

36167-94-9

Synonyms

(3,5-dichloro-4-methoxyphenyl) methanamine

Molecular Formula

C8H9Cl2NO

Molecular Weight

206.07

Target Alternative Name

Avanafil

Product Name Synonym

(3,5-dichloro-4-methoxyphenyl) methanamine

Chemical Information

3,5-Dichloro-4-methoxybenzylamine

CAS Number	36167-94-9
PubChem CID	14054678
IUPAC Name	(3,5-dichloro-4-methoxyphenyl)methanamine
Molecular Formula	C8H9Cl2NO
Molecular Weight	206.07
XLogP	2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	133

SMILES

COC1=C(C=C(C=C1Cl)CN)Cl

InChI

InChI=1S/C8H9Cl2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3

InChIKey

BKLGECNXFQJCDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36167-94-9

CID: 14054678

Formula: C8H9Cl2NO

MW: 206.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.07
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	205.0061193
Monoisotopic Mass	205.0061193
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	133
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-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-A164245-01	Avanafil Impurity 117
RM-A164244-01	Avanafil Impurity 116
RM-A164263-01	Avanafil Impurity 135
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70