3-Methylpentanimidamide hydrochloride

CAT: 0926-RHB46956Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-RHB46956Size:10 g

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CAS Number

816469-56-4

MDL Number

MFCD13193855

Smiles

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

Molecular Formula

C6H15ClN2

Molecular Weight

150.65 g/mol

Controlled

Chemical Information

3-Methylpentanimidamide hydrochloride

CAS Number	816469-56-4
PubChem CID	50999456
IUPAC Name	3-methylpentanimidamide;hydrochloride
Molecular Formula	C6H15ClN2
Molecular Weight	150.65
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	78

SMILES

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

InChI

InChI=1S/C6H14N2.ClH/c1-3-5(2)4-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H

InChIKey

VUZKXFWGCCBVFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 816469-56-4

CID: 50999456

Formula: C6H15ClN2

MW: 150.65

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	150.65
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	150.0923762
Monoisotopic Mass	150.0923762
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	78.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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