Thiotepa Impurity 9

CAT: 1299-RM-T080909-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T080909-02Size:25 mg

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CAS Number

107-09-5

Synonyms

2-bromoethan-1-amine

Molecular Formula

C2H6BrN

Molecular Weight

123.98

Target Alternative Name

Thiotepa

Product Name Synonym

2-bromoethan-1-amine

Chemical Information

2-Bromoethylamine

RN given refers to parent cpd; structure

CAS Number	107-09-5
PubChem CID	7851
IUPAC Name	2-bromoethanamine
Molecular Formula	C2H6BrN
Molecular Weight	123.98
XLogP	0
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	4
Formal Charge	0
Complexity	10

SMILES

C(CBr)N

InChI

InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2

InChIKey

IZQAUUVBKYXMET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-09-5

CID: 7851

Formula: C2H6BrN

MW: 123.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.98
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	122.96836
Monoisotopic Mass	122.96836
Topological Polar Surface Area	26 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	10
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	1
Compound Is Canonicalized	Yes