2-Methylpiperazine

CAT: 0127-OR4860-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR4860-01Size:100 g

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CAS Number

109-07-9

MDL Number

MFCD00005954

Purity

99%

Smiles

CC1CNCCN1

Chemical Information

2-Methylpiperazine

structure in first source

CAS Number	109-07-9
PubChem CID	66057
IUPAC Name	2-methylpiperazine
Molecular Formula	C5H12N2
Molecular Weight	100.16
XLogP	-0.4
Topological Polar Surface Area	24.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	54

SMILES

CC1CNCCN1

InChI

InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3

InChIKey

JOMNTHCQHJPVAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109-07-9

CID: 66057

Formula: C5H12N2

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.100048391
Monoisotopic Mass	100.100048391
Topological Polar Surface Area	24.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	54
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	1
Compound Is Canonicalized	Yes

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