2-Methyl-1H-benzimidazole-1-ethanamine - CAS 61981-79-1

Catalog:	BB031362
Product Name:	2-Methyl-1H-benzimidazole-1-ethanamine
CAS:	61981-79-1
Synonyms:	2-(2-methyl-1-benzimidazolyl)ethanamine; 2-(2-methylbenzimidazol-1-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(2-methylbenzimidazol-1-yl)ethanamine
Description:	2-Methyl-1H-benzimidazole-1-ethanamine (CAS# 61981-79-1) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C10H13N3
Canonical SMILES:	CC1=NC2=CC=CC=C2N1CCN
InChI:	InChI=1S/C10H13N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7,11H2,1H3
InChI Key:	UREWYRDRWNMMAZ-UHFFFAOYSA-N
Boiling Point:	354.4 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	2.80570

Publication Number	Title	Priority Date
US-2017042905-A1	Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto	20140429
US-2007282101-A1	Indazole compounds	20060331
US-2012053345-A1	Indazole Compounds	20060331
US-8008481-B2	Indazole compounds	20060331
US-2007213340-A1	Farnesyl protein transferase inhibitors	20060119

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.110947427
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.110947427
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8