1-Isopropyl-2-methylpiperazine - CAS 26864-96-0

Catalog:	BB019384
Product Name:	1-Isopropyl-2-methylpiperazine
CAS:	26864-96-0
Synonyms:	2-methyl-1-propan-2-ylpiperazine

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1-propan-2-ylpiperazine
Description:	1-Isopropyl-2-methylpiperazine (CAS# 26864-96-0) is a useful research chemical.
Molecular Weight:	142.24
Molecular Formula:	C8H18N2
Canonical SMILES:	CC1CNCCN1C(C)C
InChI:	InChI=1S/C8H18N2/c1-7(2)10-5-4-9-6-8(10)3/h7-9H,4-6H2,1-3H3
InChI Key:	GGROKFCODOVWLX-UHFFFAOYSA-N
Boiling Point:	178.845 °C at 760 mmHg
Purity:	> 98 %
Density:	0.859 g/cm³
MDL:	MFCD08060026
LogP:	0.95520

Publication Number	Title	Priority Date
EP-3601297-A1	Compounds that inhibit mcl-1 protein	20170330
US-10300075-B2	Compounds that inhibit MCL-1 protein	20170330
US-10632128-B2	Compounds that inhibit Mcl-1 protein	20170330
US-2018289720-A1	Compounds that inhibit mcl-1 protein	20170330
US-2019201412-A1	Compounds that inhibit mcl-1 protein	20170330

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.146998583
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.146998583
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8