1-Methylpiperazine dihydrochloride - CAS 34352-59-5

Catalog:	BB022083
Product Name:	1-Methylpiperazine dihydrochloride
CAS:	34352-59-5
Synonyms:	1-methylpiperazine;dihydrochloride

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Computed Properties

IUPAC Name:	1-methylpiperazine;dihydrochloride
Description:	1-Methylpiperazine dihydrochloride (CAS# 34352-59-5) is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP), an antimicrotubular drug.
Molecular Weight:	173.08
Molecular Formula:	C5H12N2 · 2HCl
Canonical SMILES:	CN1CCNCC1.Cl.Cl
InChI:	InChI=1S/C5H12N2.2ClH/c1-7-4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H
InChI Key:	AILFRWRYZZVJTL-UHFFFAOYSA-N
Boiling Point:	138 °C at 760 mmHg
Melting Point:	246-250 °C (lit.)
Purity:	95 %
Appearance:	Off-white to light yellow powder
MDL:	MFCD00012755
LogP:	1.39210

Publication Number	Title	Priority Date
AU-2016333855-A1	Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use	20151009
AU-2016333856-A1	N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use	20151009
CA-3001094-A1	Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use	20151009
CA-3001096-A1	N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use	20151009
EP-3359539-A1	Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use	20151009

PMID	Publication Date	Title	Journal
20617235	20100828	Chalcogenides of the aminomethylphosphines derived from 1-methylpiperazine, 1-ethylpiperazine and morpholine: NMR, DFT and structural studies for determination of electronic and steric properties of the phosphines	Dalton transactions (Cambridge, England : 2003)
16755633	20060717	Photoaddition of N-substituted piperazines to C60: an efficient approach to the synthesis of water-soluble fullerene derivatives	Chemistry (Weinheim an der Bergstrasse, Germany)
12440909	20021127	Mechanistic insights into the Pd(BINAP)-catalyzed amination of aryl bromides: kinetic studies under synthetically relevant conditions	Journal of the American Chemical Society

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	48
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0534038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	172.0534038
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0