4-(Aminomethyl)pyrazole Dihydrochloride - CAS 1172862-88-2

Catalog:	BB003917
Product Name:	4-(Aminomethyl)pyrazole Dihydrochloride
CAS:	1172862-88-2
Synonyms:	1H-pyrazol-4-ylmethanamine;dihydrochloride; 1H-pyrazol-4-ylmethanamine;dihydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1H-pyrazol-4-ylmethanamine;dihydrochloride
Description:	4-(Aminomethyl)pyrazole Dihydrochloride (CAS# 1172862-88-2) is a useful research chemical.
Molecular Weight:	170.04
Molecular Formula:	C4H9Cl2N3
Canonical SMILES:	C1=C(C=NN1)CN.Cl.Cl
InChI:	InChI=1S/C4H7N3.2ClH/c5-1-4-2-6-7-3-4;;/h2-3H,1,5H2,(H,6,7);2*1H
InChI Key:	ZPDVQCYMZOCSKU-UHFFFAOYSA-N
LogP:	2.17270

Publication Number	Title	Priority Date
TW-202019902-A	Fused ring compound with urea structure	20180705
CA-3105456-A1	Fused ring compound having urea structure	20180705
CN-112654608-A	Condensed ring compounds having urea structure	20180705
EP-3818053-A1	Fused ring compound having urea structure	20180705
AU-2017260125-A9	Aromatic sulfonamide derivatives	20160503

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0