M 30 Dihydrochloride

CAT: 0926-PCA82119-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-PCA82119-01Size:25 mg

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CAS Number

64821-19-8

MDL Number

MFCD20488063

Smiles

CN (CC#C) CC1=C2C=CC=NC2=C (C=C1) O.Cl.Cl

Molecular Formula

C14H16Cl2N2O

Molecular Weight

299.2 g/mol

Controlled

Chemical Information

M 30 dihydrochloride

CAS Number	64821-19-8
PubChem CID	71311622
IUPAC Name	5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol;dihydrochloride
Molecular Formula	C14H16Cl2N2O
Molecular Weight	299.2
Topological Polar Surface Area	36.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	296

SMILES

CN(CC#C)CC1=C2C=CC=NC2=C(C=C1)O.Cl.Cl

InChI

InChI=1S/C14H14N2O.2ClH/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14;;/h1,4-8,17H,9-10H2,2H3;2*1H

InChIKey

XJNICPXVRPOSSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64821-19-8

CID: 71311622

Formula: C14H16Cl2N2O

MW: 299.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	298.0639685
Monoisotopic Mass	298.0639685
Topological Polar Surface Area	36.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	296
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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