3-Phenylpropanimidamide hydrochloride

CAT: 0926-ZAA44189-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZAA44189-01Size:0.5 g

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CAS Number

24441-89-2

MDL Number

MFCD00158720

Smiles

C1=CC=C (C=C1) CCC (=N) N.Cl

Molecular Formula

C9H13ClN2

Molecular Weight

184.67 g/mol

Controlled

Chemical Information

3-Phenylpropanimidamide hydrochloride

CAS Number	24441-89-2
PubChem CID	12621988
IUPAC Name	3-phenylpropanimidamide;hydrochloride
Molecular Formula	C9H13ClN2
Molecular Weight	184.66
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	126

SMILES

C1=CC=C(C=C1)CCC(=N)N.Cl

InChI

InChI=1S/C9H12N2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11);1H

InChIKey

WNSJACFIQOWCHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24441-89-2

CID: 12621988

Formula: C9H13ClN2

MW: 184.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.66
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	184.0767261
Monoisotopic Mass	184.0767261
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	126
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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