Bromhexine Impurity 7

CAT: 1299-RM-B082433-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B082433-02Size:25 mg

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CAS Number

80638-08-0

Synonyms

N-methyl-N- (2-nitrobenzyl) cyclohexanamine

Molecular Formula

C14H20N2O2

Molecular Weight

248.32

Target Alternative Name

Bromhexine

Product Name Synonym

N-methyl-N- (2-nitrobenzyl) cyclohexanamine

Chemical Information

N-cyclohexyl-N-methyl-o-nitrobenzylamine

CAS Number	80638-08-0
PubChem CID	3015582
IUPAC Name	N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine
Molecular Formula	C14H20N2O2
Molecular Weight	248.32
XLogP	3.8
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	271

SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])C2CCCCC2

InChI

InChI=1S/C14H20N2O2/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16(17)18/h5-7,10,13H,2-4,8-9,11H2,1H3

InChIKey

GDRZPWMSPDDHEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80638-08-0

CID: 3015582

Formula: C14H20N2O2

MW: 248.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.32
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.152477885
Monoisotopic Mass	248.152477885
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	271
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