AG0018MH

138356-21-5 | BD 1047 (hydrobromide)

AG0018MH

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CAS Number	138356-21-5
Catalog Number	AG0018MH(AGN-PC-07A7QD)
Chemical Name	BD 1047 (hydrobromide)
IUPAC Name	N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine;dihydrobromide
InChI	InChI=1S/C13H20Cl2N2.2BrH/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11;;/h4-5,10H,6-9H2,1-3H3;2*1H
InChI Key	WOALTFHGLDVJHK-UHFFFAOYSA-N
MDL Number	MFCD00792739
Molecular Formula	C13H22Br2Cl2N2
Molecular Weight	437.0412
SMILES	ClC1=C(Cl)C=CC(CCN(C)CCN(C)C)=C1.Br.Br
Synonyms	BD 1047 DIHYDROBROMIDE, 138356-21-5, BD-1047 dihydrobromide, BD-1047 (dihydrobromide), BD1047.2HBr, 138356-20-4, N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-(dimethylamino)ethylamine dihydrobromide, BD1047dihydrobromide, BD-1047dihydrobromide, BD1047 dihydrobromide, SCHEMBL1780137, BD-1047 2HBr, CTK8E8400, DTXSID50662758, EX-A620, BCP15756, HY-16996A, MFCD00792739, AKOS024458714, API0007828, CS-4666, AK200110, RT-011432, B6521, BD 1047 dihydrobromide, >=95% (HPLC), FT-0700184, A13196, SR-01000597974, J-007124, SR-01000597974-1, N1-(3,4-Dichlorophenethyl)-N1,N2,N2-trimethylethane-1,2-diamine 2hbr, 1,2-ethanediamine, N-[2-(3,4-dichlorophenyl)ethyl]-N,N',N'-trimethyl-, dihydrobromide, N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine;dihydrobromide, N-[2-(3,4-Dichloro-phenyl)-ethyl]-N,N',N'-trimethyl-ethane-1,2-diamine dihydrobromide, 1,2-Ethanediamine, N1-[2-(3,4-dichlorophenyl)ethyl]-N1,N2,N2-trimethyl-, hydrobromide (1:2), N~1~-[2-(3,4-Dichlorophenyl)ethyl]-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine--hydrogen bromide (1/2), UNII-1S3X75QGDO, BD 1047, BD-1047, N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(dimethylamino)ethylamine,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	435.951g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	437.041g/mol
Monoisotopic Mass	433.953g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	6.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number