ST1936

CAT: 0926-HWC22883-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HWC22883-01Size:50 mg

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

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CAS Number

1782228-83-4

Smiles

COC (=O) C1CCC (NC1) C2=CC=CC=C2

Molecular Formula

C15H19ClN2O4

Molecular Weight

326.77 g/mol

Controlled

Chemical Information

ST 1936 oxalate

CAS Number	1782228-83-4
PubChem CID	90488934
IUPAC Name	2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine;oxalic acid
Molecular Formula	C15H19ClN2O4
Molecular Weight	326.77
Topological Polar Surface Area	93.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	304

SMILES

CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17ClN2.C2H2O4/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9;3-1(4)2(5)6/h4-5,8,15H,6-7H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

FHSPBPPTDFRVGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1782228-83-4

CID: 90488934

Formula: C15H19ClN2O4

MW: 326.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.77
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	326.1033348
Monoisotopic Mass	326.1033348
Topological Polar Surface Area	93.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	304
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	2
Compound Is Canonicalized	Yes