Isopropylhydrazine Hydrochloride - CAS 16726-41-3

Catalog:	BB012370
Product Name:	Isopropylhydrazine Hydrochloride
CAS:	16726-41-3
Synonyms:	propan-2-ylhydrazine;hydrochloride; propan-2-ylhydrazine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	propan-2-ylhydrazine;hydrochloride
Description:	Potent monoamine oxidase inhibitor.
Molecular Weight:	110.59
Molecular Formula:	C3H11ClN2
Canonical SMILES:	CC(C)NN.Cl
InChI:	InChI=1S/C3H10N2.ClH/c1-3(2)5-4;/h3,5H,4H2,1-2H3;1H
InChI Key:	ILULYDJFTJKQAP-UHFFFAOYSA-N
Boiling Point:	120.1 ℃ at 760 mmHg
Density:	0.815 g/cm³
MDL:	MFCD01746887
LogP:	1.75130

Publication Number	Title	Priority Date
US-2016083403-A1	Boron-Containing Diacylhydrazine Compounds	20140917
US-2015344437-A1	Pyrazolone derivatives as nitroxyl donors	20140527
US-2015329529-A1	Carboxamide derivatives	20140514
US-9403810-B2	Carboxamide derivatives	20140514
US-2015246923-A1	9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors	20140228

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GHS Hazard Statement:	H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	18.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.0610761
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	110.0610761
Rotatable Bond Count:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0