NE-100 hydrochloride

CAT: 0127-BUP07146-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07146-01Size:5 mg

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CAS Number

149409-57-4

Synonyms

NE100 Hydrochloride, NE 100 HCl, NE 100 Hydrochloride, NE-100 Hydrochloride, NE-100 HCl

Purity

=98%

Smiles

Cl.CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1

Chemical Information

4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)

CAS Number	149409-57-4
PubChem CID	9952420
IUPAC Name	N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
Molecular Formula	C23H34ClNO2
Molecular Weight	392.0
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	27
Formal Charge	0
Complexity	337

SMILES

CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H

InChIKey

ZHGMDXSHODHWHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149409-57-4

CID: 9952420

Formula: C23H34ClNO2

MW: 392.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	391.2278070
Monoisotopic Mass	391.2278070
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	337
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

Catalog	Name
OR1001373-01	Dap-NE (hydrochloride)
OR1034280	Ne, Ne, Ne-Trimethyllysine (chloride)
OR1014347-01	Ne-Boc-L-lysine tert-butyl ester hydrochloride
BUP02119-01	NE 10790
BUP05362-01	NE 52-QQ57
BUP11122-01	BOC-Dap-NE
OR1028378-01	(NE) -N- (1,2-Diphenylethylidene) Hydroxylamine
BITP1920-01	Recombinant Tick-Borne Encephalitis Virus NE/gE
OR303342	(NE) -N-{[2- (Diphenylphosphanyl) phenyl]methylidene}cyclohexanamine
BUP07047-01	BMS-1001 hydrochloride

Catalog	Name
B7281-50	NE 100 hydrochloride
HY-101484A-01	NE-100 (hydrochloride)
MBS3602070-01	NE-100 hydrochloride
HY-101484AR	NE-100 (hydrochloride) (Standard)
HY-78932A-01	Dap-NE (hydrochloride)
GTR19233024-01	Dap-NE hydrochloride
459482-01	N-Methylcyclopropanamine Hydrochloride
HY-78932G	Dap-NE (hydrochloride) (GMP)
285732-01	Ne-Nicotinyl-L-lysine hydrochloride
285698-01	Ne-Methyl-L-lysine hydrochloride