Ambroxol Impurity 16

CAT: 1299-RM-A130216-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A130216-02Size:25 mg

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

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CAS Number

15942-11-7

Synonyms

2-amino-N- ((1r,4r) -4-hydroxycyclohexyl) benzamide

Molecular Formula

C13H18N2O2

Molecular Weight

234.29

Target Alternative Name

Ambroxol

Product Name Synonym

2-amino-N- ((1r,4r) -4-hydroxycyclohexyl) benzamide

Chemical Information

trans-2-amino-N-(4-hydroxycyclohexyl)benzamide

CAS Number	15942-11-7
PubChem CID	85198
IUPAC Name	2-amino-N-(4-hydroxycyclohexyl)benzamide
Molecular Formula	C13H18N2O2
Molecular Weight	234.29
XLogP	1.2
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	262

SMILES

C1CC(CCC1NC(=O)C2=CC=CC=C2N)O

InChI

InChI=1S/C13H18N2O2/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(16)8-6-9/h1-4,9-10,16H,5-8,14H2,(H,15,17)

InChIKey

RODNVULEJJJVHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15942-11-7

CID: 85198

Formula: C13H18N2O2

MW: 234.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	234.136827821
Monoisotopic Mass	234.136827821
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	262
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