Ambroxol Impurity 29

CAT: 1596-AR-A06097-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06097-02Size:25 Units

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

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CAS Number

18683-92-6

Molecular Formula

C14H18Br2N2

Molecular Weight

374.12

API Name

Ambroxol

Chemical Information

6,8-Dibromo-3-cyclohexyl-1,2,3,4-tetrahydroquinazoline

CAS Number	18683-92-6
PubChem CID	85714540
IUPAC Name	6,8-dibromo-3-cyclohexyl-2,4-dihydro-1H-quinazoline
Molecular Formula	C14H18Br2N2
Molecular Weight	374.11
XLogP	4.8
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	281

SMILES

C1CCC(CC1)N2CC3=C(C(=CC(=C3)Br)Br)NC2

InChI

InChI=1S/C14H18Br2N2/c15-11-6-10-8-18(12-4-2-1-3-5-12)9-17-14(10)13(16)7-11/h6-7,12,17H,1-5,8-9H2

InChIKey

QAAKUWHMWFVTFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18683-92-6

CID: 85714540

Formula: C14H18Br2N2

MW: 374.11

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	374.11
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	373.98162
Monoisotopic Mass	371.98367
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	281
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