Dicarbine 1mg

CAT: 0628-A18925-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A18925-1Size:1 mg

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CAS Number

17411-19-7

Chemical Information

Dicarbine

minor descriptor (77-84); on-line & Index Medicus search CARBOLINES (77-84); RN given refers to parent cpd without isomeric designation

CAS Number	17411-19-7
PubChem CID	65684
IUPAC Name	2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
Molecular Formula	C13H18N2
Molecular Weight	202.30
XLogP	2.3
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	241

SMILES

CC1=CC2=C(C=C1)NC3C2CN(CC3)C

InChI

InChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3

InChIKey

CYJQCYXRNNCURD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17411-19-7

CID: 65684

Formula: C13H18N2

MW: 202.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.30
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	202.146998583
Monoisotopic Mass	202.146998583
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T13652-01	Dicarbine
HY-127086A	Dicarbine (dihydrochloride)