DSP-4 hydrochloride 10mg

CAT: 0628-A19539-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A19539-10Size:10 mg

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CAS Number

40616-75-9

Chemical Information

Benzenemethanamine, 2-bromo-N-(2-chloroethyl)-N-ethyl-, hydrochloride (1:1)

CAS Number	40616-75-9
PubChem CID	11957497
IUPAC Name	N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine;hydrochloride
Molecular Formula	C11H16BrCl2N
Molecular Weight	313.06
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	154

SMILES

CCN(CCCl)CC1=CC=CC=C1Br.Cl

InChI

InChI=1S/C11H15BrClN.ClH/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12;/h3-6H,2,7-9H2,1H3;1H

InChIKey

NDDRNRRNYOULND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40616-75-9

CID: 11957497

Formula: C11H16BrCl2N

MW: 313.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.06
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	310.98432
Monoisotopic Mass	310.98432
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	154
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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