2-Bromo-N-methylethanamine hydrobromide

CAT: 0127-OR74531-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR74531-01Size:1 g

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CAS Number

40052-63-9

MDL Number

MFCD09953007

Purity

98%

Smiles

BrCCNC.[H]Br

Chemical Information

(2-Bromoethyl)(methyl)amine hydrobromide

CAS Number	40052-63-9
PubChem CID	12735740
IUPAC Name	2-bromo-N-methylethanamine;hydrobromide
Molecular Formula	C3H9Br2N
Molecular Weight	218.92
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	16

SMILES

CNCCBr.Br

InChI

InChI=1S/C3H8BrN.BrH/c1-5-3-2-4;/h5H,2-3H2,1H3;1H

InChIKey

MRNBJALXIPLMJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40052-63-9

CID: 12735740

Formula: C3H9Br2N

MW: 218.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.92
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	218.90813
Monoisotopic Mass	216.91017
Topological Polar Surface Area	12 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	16.4
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

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