Roxatidine Impurity 2

CAT: 1596-AR-R11623-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11623-02Size:25 Units

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

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CAS Number

73278-98-5

Molecular Formula

C15H24N2O

Molecular Weight

248.37

API Name

Roxatidine

Chemical Information

3-(3-(Piperidin-1-ylmethyl)phenoxy)propan-1-amine

CAS Number	73278-98-5
PubChem CID	10220561
IUPAC Name	3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
Molecular Formula	C15H24N2O
Molecular Weight	248.36
XLogP	2.5
Topological Polar Surface Area	38.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	217

SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN

InChI

InChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2

InChIKey

VQSXCZMVUMSITD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73278-98-5

CID: 10220561

Formula: C15H24N2O

MW: 248.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.36
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	248.188863393
Monoisotopic Mass	248.188863393
Topological Polar Surface Area	38.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	217
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