AG0085AP

105-20-4 | 2-(1H-Pyrazol-3-yl)-ethylamine

AG0085AP

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CAS Number	105-20-4
Catalog Number	AG0085AP(AGN-PC-0NW0KL)
Chemical Name	2-(1H-Pyrazol-3-yl)-ethylamine
EC Number	203-278-3
IUPAC Name	2-(1H-pyrazol-5-yl)ethanamine
InChI	InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
InChI Key	JXDFEQONERDKSS-UHFFFAOYSA-N
MDL Number	MFCD00867261
Molecular Formula	C5H9N3
Molecular Weight	111.1451
SMILES	NCCC1=NNC=C1
UNII	1C065P542O
Synonyms	Ametazole, Betazole, Betazole Dihydrochloride, Betazole Monohydrochloride, Dihydrochloride, Betazole, Histalog, Lilly 96791, Monohydrochloride, Betazole, BETAZOLE, Ametazole, 105-20-4, 1H-Pyrazole-3-ethanamine, 3-(2-Aminoethyl)pyrazole, Betazol, Betazolum, Betazolo [DCIT], 2-(3-Pyrazolyl)ethanamine, Betazol [INN-Spanish], Betazolum [INN-Latin], Histalog, 2-(1H-pyrazol-5-yl)ethanamine, Betazole [INN], 2-(1H-Pyrazol-3-yl)ethanamine, 2-(3-Pyrazolyl)ethylamine, 2-(1H-Pyrazol-3-yl)-ethylamine, 3-(beta-aminoethyl)pyrazole, UNII-1C065P542O, EINECS 203-278-3, 2-(1H-pyrazol-3-yl)ethan-1-amine, CHEBI:59170, JXDFEQONERDKSS-UHFFFAOYSA-N, 1C065P542O, Betazolo, [2-(1H-pyrazol-3-yl)ethyl]amine dihydrochloride, NCGC00016995-01, Lilly 96791, 3-Aminoethylpyrazole, Prestwick-01E04, 3-beta-aminoethylpyrazole, AC1Q4WVG, Prestwick0_000043, Prestwick1_000043, Prestwick2_000043, Prestwick3_000043, AC1L1PG3, BSPBio_000165, SCHEMBL157155, SPBio_002086, BPBio1_000183, GTPL7126, Pyrazole, 3-(2-aminoethyl)-, ZINC1028, CHEMBL1201323, DTXSID7022675, CTK0I1357, KS-00000DRA, ALBB-018082, ZX-CM002485, 2-(1H-Pyrazol-3-yl)ethanamine #, 1009AJ, MFCD00867261, 2-(1H-pyrazol-5-yl)ethan-1-amine, AKOS005362497, AKOS009209017, AB60568, DB00272, MCULE-6411210232, NCGC00016995-02, AJ-07952, BP-10560, SY021017, LS-171948, AB00514680, R4823, MFCD00867261 (95%), Y-6432, L000831, Betazole HCl, Betazole hydrochloride, Betazole dihydrochloride, C5H9N3, D01OUE, CID7741, C5-H9-N3, AR-1H9721, 2-(1H-pyrazol-3-yl)ethanamine dihydrochloride, 138-92-1, 10572-60-8,

Complexity	64.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.08g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	111.148g/mol
Monoisotopic Mass	111.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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