4-Methylisoindoline hydrochloride

CAT: 0926-FM140981Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FM140981Size:0.1 g

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CAS Number

1956331-04-6

MDL Number

MFCD27978510

Smiles

CC1=C2CNCC2=CC=C1.Cl

Molecular Formula

C9H12ClN

Molecular Weight

169.65 g/mol

Controlled

Chemical Information

4-methyl-2,3-dihydro-1H-isoindole hydrochloride

CAS Number	1956331-04-6
PubChem CID	92134868
IUPAC Name	4-methyl-2,3-dihydro-1H-isoindole;hydrochloride
Molecular Formula	C9H12ClN
Molecular Weight	169.65
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

CC1=C2CNCC2=CC=C1.Cl

InChI

InChI=1S/C9H11N.ClH/c1-7-3-2-4-8-5-10-6-9(7)8;/h2-4,10H,5-6H2,1H3;1H

InChIKey

KSXJUNKJSNDKCE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1956331-04-6

CID: 92134868

Formula: C9H12ClN

MW: 169.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.65
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	169.0658271
Monoisotopic Mass	169.0658271
Topological Polar Surface Area	12 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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

Catalog	Name
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