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1-[(3-Methylisoxazol-5-yl)methyl]piperazine dihydrochloride

1-[(3-Methylisoxazol-5-yl)methyl]piperazine dihydrochloride - CAS 1431963-31-3

Catalog:	BB051855
Product Name:	1-[(3-Methylisoxazol-5-yl)methyl]piperazine dihydrochloride
CAS:	1431963-31-3
Synonyms:	1-[(3-Methylisoxazol-5-yl)methyl]piperazinedihydrochloride

Technical Data

Computed Properties

IUPAC Name:	3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride
Molecular Weight:	254.15
Molecular Formula:	C9H17Cl2N3O
Canonical SMILES:	CC1=NOC(=C1)CN2CCNCC2.Cl.Cl
InChI:	InChI=1S/C9H15N3O.2ClH/c1-8-6-9(13-11-8)7-12-4-2-10-3-5-12;;/h6,10H,2-5,7H2,1H3;2*1H
InChI Key:	CJLFQWAVPPTJQD-UHFFFAOYSA-N

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Isoxazoles

[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[938006-55-4]
Ethyl 5-methyl-4-[(4-nitrophenoxy)methyl]isoxazole-3-carboxylate
[7063-99-2]
Ethyl 5-phenylisoxazole-3-carboxylate

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1217482-26-2]
(R)-piperazin-2-ylmethanol dihydrochloride
[55513-17-2]
1-(3,4-Dichlorobenzyl)piperazine
[55276-43-2]
1-Methanesulfonylpiperazine
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.0748676
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	253.0748676
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0