3-(Aminomethyl)pyrazole Dihydrochloride - CAS 1037237-32-3

Catalog:	BB001214
Product Name:	3-(Aminomethyl)pyrazole Dihydrochloride
CAS:	1037237-32-3
Synonyms:	1H-pyrazol-5-ylmethanamine;dihydrochloride; 1H-pyrazol-5-ylmethanamine;dihydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	1H-pyrazol-5-ylmethanamine;dihydrochloride
Description:	3-(Aminomethyl)pyrazole Dihydrochloride (CAS# 1037237-32-3) is a useful research chemical compound.
Molecular Weight:	170.04
Molecular Formula:	C4H9Cl2N3
Canonical SMILES:	C1=C(NN=C1)CN.Cl.Cl
InChI:	InChI=1S/C4H7N3.2ClH/c5-3-4-1-2-6-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H
InChI Key:	ZQIIUAXAEOUVGI-UHFFFAOYSA-N
Boiling Point:	329.5 ℃ at 760 mmHg
Storage:	Sealed in dry, Room Temperature
LogP:	2.17270

Publication Number	Title	Priority Date
CA-2673375-A1	1-aminomethyl-l-phenyl-cyclohexane derivatives as ddp-iv inhibitors	20061222
EP-2124913-A1	1-aminomethyl- l- phenyl- cyclohexane derivatives as ddp-iv inhibitors	20061222
WO-2008077597-A1	1-aminomethyl- l- phenyl- cyclohexane derivatives as ddp-iv inhibitors	20061222

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Complexity:	54.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0173527
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	169.0173527
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0