O-Desmethyl pyrilamine

CAT: 0926-FD21312-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FD21312-01Size:10 mg

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CAS Number

57830-29-2

Synonyms

4-[[[2- (Dimethylamino) ethyl]-2-pyridinylamino]methyl]phenol

Smiles

CN (C) CCN (CC1=CC=C (C=C1) O) C2=CC=CC=N2

Molecular Formula

C16H21N3O

Molecular Weight

271.36 g/mol

Controlled

Chemical Information

o-Desmethylpyrilamine

a major metabolite of pyrilamine detected in equine serum and urine

CAS Number	57830-29-2
PubChem CID	6453530
IUPAC Name	3-[2-(dimethylamino)ethyl]-4-[(pyridin-2-ylamino)methyl]phenol
Molecular Formula	C16H21N3O
Molecular Weight	271.36
XLogP	2.6
Topological Polar Surface Area	48.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	272

SMILES

CN(C)CCC1=C(C=CC(=C1)O)CNC2=CC=CC=N2

InChI

InChI=1S/C16H21N3O/c1-19(2)10-8-13-11-15(20)7-6-14(13)12-18-16-5-3-4-9-17-16/h3-7,9,11,20H,8,10,12H2,1-2H3,(H,17,18)

InChIKey

MLZJQYLMBLQQRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57830-29-2

CID: 6453530

Formula: C16H21N3O

MW: 271.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.36
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	271.168462302
Monoisotopic Mass	271.168462302
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	272
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

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Catalog	Name
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