(±) -Vasicine

CAT: 0127-BUP24105-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP24105-02Size:5 mg

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CAS Number

6159-56-4

Synonyms

(±) -Peganine

MDL Number

MFCD01544498

Purity

≥98%

Smiles

OC1C2=NC=3C=CC=CC3CN2CC1

Chemical Information

1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol

1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol is a member of quinazolines.

CAS Number	6159-56-4
PubChem CID	72610
IUPAC Name	1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
Molecular Formula	C11H12N2O
Molecular Weight	188.23
XLogP	0.4
Topological Polar Surface Area	35.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	264

SMILES

C1CN2CC3=CC=CC=C3N=C2C1O

InChI

InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2

InChIKey

YIICVSCAKJMMDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6159-56-4

CID: 72610

Formula: C11H12N2O

MW: 188.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.23
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	188.094963011
Monoisotopic Mass	188.094963011
Topological Polar Surface Area	35.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP03621-01	Vasicinone