2-(1-Pyrazolyl)benzylamine - CAS 449758-13-8

Catalog:	BB025738
Product Name:	2-(1-Pyrazolyl)benzylamine
CAS:	449758-13-8
Synonyms:	[2-(1-pyrazolyl)phenyl]methanamine; (2-pyrazol-1-ylphenyl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(2-pyrazol-1-ylphenyl)methanamine
Description:	2-(1-Pyrazolyl)benzylamine (CAS# 449758-13-8) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C10H11N3
Canonical SMILES:	C1=CC=C(C(=C1)CN)N2C=CC=N2
InChI:	InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2
InChI Key:	SJMJUZRSTJBVPG-UHFFFAOYSA-N
Boiling Point:	320.3 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD03086189
LogP:	2.03130

Publication Number	Title	Priority Date
US-2021147427-A1	Pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives as selective inhibitor of cyclin dependent kinase	20180411
CN-108239081-B	Compound for inhibiting ROCK and application thereof	20161226
CN-104447557-A	Preparation method of N-arylpyrazole compound and N-arylimidazole compound	20141119
CN-106061950-B	The manufacturing method of pyrazole compound	20140228
AU-2013224848-A1	Pyrazolo - triazine derivatives as selective cyclin- dependent kinase inhibitors	20120301

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Related Functional Groups

Amines and Anilines

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[1250876-38-0]
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GHS Hazard Statement:	H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.095297364
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.095297364
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7