MS023 dihydrochloride

CAT: 0127-BUP06274-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06274-01Size:5 mg

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CAS Number

1992047-64-9

Synonyms

MS023 2HCl

Purity

=98%

Smiles

Cl.Cl.CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN

Chemical Information

MS 023 dihydrochloride

CAS Number	1992047-64-9
PubChem CID	121513886
IUPAC Name	N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine;dihydrochloride
Molecular Formula	C17H27Cl2N3O
Molecular Weight	360.3
Topological Polar Surface Area	54.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	290

SMILES

CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN.Cl.Cl

InChI

InChI=1S/C17H25N3O.2ClH/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18;;/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3;2*1H

InChIKey

HCNXCUFNZWGILO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1992047-64-9

CID: 121513886

Formula: C17H27Cl2N3O

MW: 360.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	359.1531179
Monoisotopic Mass	359.1531179
Topological Polar Surface Area	54.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	290
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	3
Compound Is Canonicalized	Yes

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